N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine

C17H22N2 — CID 60709706

IUPACN-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-2-14-8-10-16(11-9-14)17(12-18)19-13-15-6-4-3-5-7-15/h3-11,17,19H,2,12-13,18H2,1H3
InChIKeyPQFUNSYOHXMSOE-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.04
Rot. Bonds6

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

N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine (PubChem CID 60709706) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
PubChem CID60709706
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-2-14-8-10-16(11-9-14)17(12-18)19-13-15-6-4-3-5-7-15/h3-11,17,19H,2,12-13,18H2,1H3
InChIKeyPQFUNSYOHXMSOE-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65383375
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine (CID 60709706) is N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine is CCc1ccc(C(CN)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The InChIKey is PQFUNSYOHXMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-14-8-10-16(11-9-14)17(12-18)19-13-15-6-4-3-5-7-15/h3-11,17,19H,2,12-13,18H2,1H3.
What are the key properties of N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine?
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 60709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).