2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine

C18H24N2O — CID 65382943

IUPAC2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
SMILESCOc1ccccc1NC(CN)CC(C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-14(15-8-4-3-5-9-15)12-16(13-19)20-17-10-6-7-11-18(17)21-2/h3-11,14,16,20H,12-13,19H2,1-2H3
InChIKeyVAXFSACSLZPKAD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.63
Rot. Bonds7

About 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine

2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine (PubChem CID 65382943) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
PubChem CID65382943
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
SMILESCOc1ccccc1NC(CN)CC(C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-14(15-8-4-3-5-9-15)12-16(13-19)20-17-10-6-7-11-18(17)21-2/h3-11,14,16,20H,12-13,19H2,1-2H3
InChIKeyVAXFSACSLZPKAD-UHFFFAOYSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
CID 115406341
2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2-methoxy-4-phenylpentan-1-amine
CID 66072374
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine (CID 65382943) is 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine is COc1ccccc1NC(CN)CC(C)c1ccccc1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine?
The InChIKey is VAXFSACSLZPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(15-8-4-3-5-9-15)12-16(13-19)20-17-10-6-7-11-18(17)21-2/h3-11,14,16,20H,12-13,19H2,1-2H3.
What are the key properties of 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine?
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 65382943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).