[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol

C20H28N2O — CID 141115115

IUPAC[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol
SMILESCc1ccc(-c2c(CO)c(C)nc(CC(C)(C)C)c2CN)cc1
InChIInChI=1S/C20H28N2O/c1-13-6-8-15(9-7-13)19-16(11-21)18(10-20(3,4)5)22-14(2)17(19)12-23/h6-9,23H,10-12,21H2,1-5H3
InChIKeyPAYVPMLEPHPNDM-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.91
Rot. Bonds4

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

[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol (PubChem CID 141115115) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol
PubChem CID141115115
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol
SMILESCc1ccc(-c2c(CO)c(C)nc(CC(C)(C)C)c2CN)cc1
InChIInChI=1S/C20H28N2O/c1-13-6-8-15(9-7-13)19-16(11-21)18(10-20(3,4)5)22-14(2)17(19)12-23/h6-9,23H,10-12,21H2,1-5H3
InChIKeyPAYVPMLEPHPNDM-UHFFFAOYSA-N
XLogP3.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]acetic acid;dihydrochloride
CID 51051331
[2-(2,2-dimethylpropyl)-5-(hydroxymethyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
CID 68919596
[2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-5-(phenoxymethyl)-3-pyridinyl]methanamine
CID 141115103
2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)-3-pyridinyl]acetic acid
CID 11996845
2,2-bis[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]acetonitrile;hydrochloride
CID 142755935
[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
CID 69443424
(4-methoxycarbonylphenyl)methyl 5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
CID 69443389
2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxamide
CID 68828209
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)-3-pyridinyl] 2-(5-methyl-2-oxo-1,3-dioxol-4-yl)propanoate
CID 91053558
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
N-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methyl]methanesulfonamide
CID 69444901

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol (CID 141115115) is [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol is Cc1ccc(-c2c(CO)c(C)nc(CC(C)(C)C)c2CN)cc1.
What is the InChIKey of [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol?
The InChIKey is PAYVPMLEPHPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-13-6-8-15(9-7-13)19-16(11-21)18(10-20(3,4)5)22-14(2)17(19)12-23/h6-9,23H,10-12,21H2,1-5H3.
What are the key properties of [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol?
[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol has a molecular weight of 312.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 141115115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).