2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine

C16H20N2 — CID 115124545

IUPAC2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
SMILESCCc1ccc(CCNc2ccccc2N)cc1
InChIInChI=1S/C16H20N2/c1-2-13-7-9-14(10-8-13)11-12-18-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12,17H2,1H3
InChIKeyPCBSQWIYMNTVDQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.49
Rot. Bonds5

About 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine

2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115124545) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115124545
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
SMILESCCc1ccc(CCNc2ccccc2N)cc1
InChIInChI=1S/C16H20N2/c1-2-13-7-9-14(10-8-13)11-12-18-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12,17H2,1H3
InChIKeyPCBSQWIYMNTVDQ-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124548
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
2-(2-aminoanilino)ethanethiol
CID 10773435
2-N-but-3-enylbenzene-1,2-diamine
CID 15062875
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine (CID 115124545) is 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine is CCc1ccc(CCNc2ccccc2N)cc1.
What is the InChIKey of 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is PCBSQWIYMNTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-13-7-9-14(10-8-13)11-12-18-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12,17H2,1H3.
What are the key properties of 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine?
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115124545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).