3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine

C15H17ClN2 — CID 64680255

IUPAC3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
SMILESCCc1ccccc1CNc1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-11-6-3-4-7-12(11)10-18-15-13(16)8-5-9-14(15)17/h3-9,18H,2,10,17H2,1H3
InChIKeyPWKCXIFBUAHCDH-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine

3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine (PubChem CID 64680255) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
PubChem CID64680255
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
SMILESCCc1ccccc1CNc1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-11-6-3-4-7-12(11)10-18-15-13(16)8-5-9-14(15)17/h3-9,18H,2,10,17H2,1H3
InChIKeyPWKCXIFBUAHCDH-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.10
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

N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
3-amino-2-[(2-ethylphenyl)methylamino]benzoic acid
CID 115935137
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 29066258
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
2-[(2-chloroanilino)methyl]aniline
CID 66387029
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
3-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281278
4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 64695767
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
CID 113293124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine (CID 64680255) is 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine is CCc1ccccc1CNc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is PWKCXIFBUAHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-11-6-3-4-7-12(11)10-18-15-13(16)8-5-9-14(15)17/h3-9,18H,2,10,17H2,1H3.
What are the key properties of 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine?
3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 64680255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).