2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine

C14H24N2O — CID 65377532

IUPAC2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
SMILESCOc1cccc(NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)9-14(3,10-15)16-12-6-5-7-13(8-12)17-4/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyCBLKZJKBQYRMDS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.87
Rot. Bonds6

About 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine

2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 65377532) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
PubChem CID65377532
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
SMILESCOc1cccc(NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)9-14(3,10-15)16-12-6-5-7-13(8-12)17-4/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyCBLKZJKBQYRMDS-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867783
4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050466
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine (CID 65377532) is 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine is COc1cccc(NC(C)(CN)CC(C)C)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is CBLKZJKBQYRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)9-14(3,10-15)16-12-6-5-7-13(8-12)17-4/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine?
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 65377532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).