4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine

C10H13ClN2 — CID 115468475

IUPAC4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCC1CC1
InChIInChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyDMZCPESSINOEDV-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine

4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine (PubChem CID 115468475) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
PubChem CID115468475
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCC1CC1
InChIInChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyDMZCPESSINOEDV-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.74
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

4-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,2-diamine
CID 115468877
2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
CID 115469089
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
CID 130905382
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
CID 115213838
4-amino-3-[(4-hydroxycyclohexyl)methylamino]benzonitrile
CID 106120182
4-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511847
4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115469180
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine (CID 115468475) is 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine is Nc1ccc(Cl)cc1NCC1CC1.
What is the InChIKey of 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine?
The InChIKey is DMZCPESSINOEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2.
What are the key properties of 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine?
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine has a molecular weight of 196.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 115468475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).