1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine

C18H24N2 — CID 65193661

IUPAC1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-9-10-17(11-14(13)2)18(12-19)20-15(3)16-7-5-4-6-8-16/h4-11,15,18,20H,12,19H2,1-3H3
InChIKeyPRAYKPPCFOOIOM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.65
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 65193661) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID65193661
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-9-10-17(11-14(13)2)18(12-19)20-15(3)16-7-5-4-6-8-16/h4-11,15,18,20H,12,19H2,1-3H3
InChIKeyPRAYKPPCFOOIOM-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685384
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193812
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine (CID 65193661) is 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine is Cc1ccc(C(CN)NC(C)c2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is PRAYKPPCFOOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-10-17(11-14(13)2)18(12-19)20-15(3)16-7-5-4-6-8-16/h4-11,15,18,20H,12,19H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65193661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).