[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine

C26H32N2O — CID 141115103

IUPAC[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(-c2c(COc3ccccc3)c(C)nc(CC(C)(C)C)c2CN)cc1
InChIInChI=1S/C26H32N2O/c1-18-11-13-20(14-12-18)25-22(16-27)24(15-26(3,4)5)28-19(2)23(25)17-29-21-9-7-6-8-10-21/h6-14H,15-17,27H2,1-5H3
InChIKeySCGKXVWRPJWBIE-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.99
Rot. Bonds6

About [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine

[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine (PubChem CID 141115103) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine
PubChem CID141115103
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(-c2c(COc3ccccc3)c(C)nc(CC(C)(C)C)c2CN)cc1
InChIInChI=1S/C26H32N2O/c1-18-11-13-20(14-12-18)25-22(16-27)24(15-26(3,4)5)28-19(2)23(25)17-29-21-9-7-6-8-10-21/h6-14H,15-17,27H2,1-5H3
InChIKeySCGKXVWRPJWBIE-UHFFFAOYSA-N
XLogP5.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol
CID 141115115
2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]acetic acid;dihydrochloride
CID 51051331
tert-butyl N-[[5-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methyl]carbamate
CID 91570286
methyl 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]benzoate
CID 69447894
2,2-bis[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]acetonitrile;hydrochloride
CID 142755935
2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)-3-pyridinyl]acetic acid
CID 11996845
3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride
CID 69447891
(4-methoxycarbonylphenyl)methyl 5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
CID 69443389
[2-(2,2-dimethylpropyl)-5-(hydroxymethyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
CID 68919596
[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
CID 69443424
4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]benzene-1,3-dicarboxylic acid
CID 69444528
4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]-2,3-dimethylbenzoic acid
CID 142756043

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine (CID 141115103) is [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine is Cc1ccc(-c2c(COc3ccccc3)c(C)nc(CC(C)(C)C)c2CN)cc1.
What is the InChIKey of [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine?
The InChIKey is SCGKXVWRPJWBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18-11-13-20(14-12-18)25-22(16-27)24(15-26(3,4)5)28-19(2)23(25)17-29-21-9-7-6-8-10-21/h6-14H,15-17,27H2,1-5H3.
What are the key properties of [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine?
[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine has a molecular weight of 388.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 141115103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).