3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine

C18H24N2 — CID 115134703

IUPAC3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
SMILESCC(C)(CCN)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-18(2,12-13-19)20-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,20H,12-14,19H2,1-2H3
InChIKeyGNRUOEGMAQYKNF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.57
Rot. Bonds6

About 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine

3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine (PubChem CID 115134703) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
PubChem CID115134703
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
SMILESCC(C)(CCN)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-18(2,12-13-19)20-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,20H,12-14,19H2,1-2H3
InChIKeyGNRUOEGMAQYKNF-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
CID 65039408
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
3-methyl-3-N-[(4-propan-2-ylsulfanylphenyl)methyl]butane-1,3-diamine
CID 115134739
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
N-benzyl-2-methylnonan-2-amine
CID 54410414
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
CID 115134895
5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol
CID 21321442
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine (CID 115134703) is 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine is CC(C)(CCN)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine?
The InChIKey is GNRUOEGMAQYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,12-13-19)20-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,20H,12-14,19H2,1-2H3.
What are the key properties of 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine?
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115134703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).