2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C17H30N2O — CID 114867783

IUPAC2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOc1cccc(NC(CN)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-13(2)10-17(12-18,11-14(3)4)19-15-7-6-8-16(9-15)20-5/h6-9,13-14,19H,10-12,18H2,1-5H3
InChIKeyDVODVARJKQUPJC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.90
Rot. Bonds8

About 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867783) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867783
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOc1cccc(NC(CN)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-13(2)10-17(12-18,11-14(3)4)19-15-7-6-8-16(9-15)20-5/h6-9,13-14,19H,10-12,18H2,1-5H3
InChIKeyDVODVARJKQUPJC-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 66172050

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867783) is 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is COc1cccc(NC(CN)(CC(C)C)CC(C)C)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is DVODVARJKQUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)10-17(12-18,11-14(3)4)19-15-7-6-8-16(9-15)20-5/h6-9,13-14,19H,10-12,18H2,1-5H3.
What are the key properties of 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).