1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C17H30N2O — CID 43096585

IUPAC1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCOc1ccc(CNCC(CC(C)C)N(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-20-17-9-7-15(8-10-17)12-18-13-16(19(4)5)11-14(2)3/h7-10,14,16,18H,6,11-13H2,1-5H3
InChIKeyUUGIOKJNUCPQHF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds9

About 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 43096585) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID43096585
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCOc1ccc(CNCC(CC(C)C)N(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-6-20-17-9-7-15(8-10-17)12-18-13-16(19(4)5)11-14(2)3/h7-10,14,16,18H,6,11-13H2,1-5H3
InChIKeyUUGIOKJNUCPQHF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
2-N,2-N,4-trimethyl-1-N-[(4-nitrophenyl)methyl]pentane-1,2-diamine
CID 43207961
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
(2S)-1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 28730363
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 43096585) is 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CCOc1ccc(CNCC(CC(C)C)N(C)C)cc1.
What is the InChIKey of 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is UUGIOKJNUCPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-20-17-9-7-15(8-10-17)12-18-13-16(19(4)5)11-14(2)3/h7-10,14,16,18H,6,11-13H2,1-5H3.
What are the key properties of 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43096585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).