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

C17H22N2 — CID 65385280

IUPACN-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCc2ccccc2)cc1C
InChIInChI=1S/C17H22N2/c1-13-8-9-16(10-14(13)2)17(11-18)19-12-15-6-4-3-5-7-15/h3-10,17,19H,11-12,18H2,1-2H3
InChIKeyOJUOIBNXLDINGM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.09
Rot. Bonds5

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

N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 65385280) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID65385280
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCc2ccccc2)cc1C
InChIInChI=1S/C17H22N2/c1-13-8-9-16(10-14(13)2)17(11-18)19-12-15-6-4-3-5-7-15/h3-10,17,19H,11-12,18H2,1-2H3
InChIKeyOJUOIBNXLDINGM-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65383375
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
N-benzyl-1-(5-bromo-2-methoxyphenyl)ethane-1,2-diamine
CID 65383167
(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 100701643
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine (CID 65385280) is N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)NCc2ccccc2)cc1C.
What is the InChIKey of N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is OJUOIBNXLDINGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-8-9-16(10-14(13)2)17(11-18)19-12-15-6-4-3-5-7-15/h3-10,17,19H,11-12,18H2,1-2H3.
What are the key properties of N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).