1-(3-methylphenyl)-N-phenylethane-1,2-diamine

C15H18N2 — CID 65380714

IUPAC1-(3-methylphenyl)-N-phenylethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-6-5-7-13(10-12)15(11-16)17-14-8-3-2-4-9-14/h2-10,15,17H,11,16H2,1H3
InChIKeyDRCICZAIQPHJKW-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-methylphenyl)-N-phenylethane-1,2-diamine

1-(3-methylphenyl)-N-phenylethane-1,2-diamine (PubChem CID 65380714) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-phenylethane-1,2-diamine
PubChem CID65380714
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(3-methylphenyl)-N-phenylethane-1,2-diamine
SMILESCc1cccc(C(CN)Nc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-6-5-7-13(10-12)15(11-16)17-14-8-3-2-4-9-14/h2-10,15,17H,11,16H2,1H3
InChIKeyDRCICZAIQPHJKW-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
CID 172557248
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
1-(3-methylphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382812

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(3-methylphenyl)-N-phenylethane-1,2-diamine (CID 65380714) is 1-(3-methylphenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(3-methylphenyl)-N-phenylethane-1,2-diamine is Cc1cccc(C(CN)Nc2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-phenylethane-1,2-diamine?
The InChIKey is DRCICZAIQPHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-6-5-7-13(10-12)15(11-16)17-14-8-3-2-4-9-14/h2-10,15,17H,11,16H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-phenylethane-1,2-diamine?
1-(3-methylphenyl)-N-phenylethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65380714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).