2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine

C13H19ClN2 — CID 61440812

IUPAC2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
SMILESCCCCN(c1c(N)cccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN2/c1-2-3-9-16(10-7-8-10)13-11(14)5-4-6-12(13)15/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyKICZACOMJWHVCS-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.69
Rot. Bonds5

About 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine

2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine (PubChem CID 61440812) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
PubChem CID61440812
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
SMILESCCCCN(c1c(N)cccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN2/c1-2-3-9-16(10-7-8-10)13-11(14)5-4-6-12(13)15/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyKICZACOMJWHVCS-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
CID 102859508
3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63402926
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
CID 62496653
2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
CID 54989261
3-amino-2-[cyclopropyl(propyl)amino]benzoic acid
CID 112578032
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
CID 114067557
4-(bromomethyl)-N-butyl-2-chloro-N-cyclopropylaniline
CID 107081442
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55241864
3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 55011400

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine?
The IUPAC name of 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine (CID 61440812) is 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine?
The canonical SMILES for 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine is CCCCN(c1c(N)cccc1Cl)C1CC1.
What is the InChIKey of 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine?
The InChIKey is KICZACOMJWHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-3-9-16(10-7-8-10)13-11(14)5-4-6-12(13)15/h4-6,10H,2-3,7-9,15H2,1H3.
What are the key properties of 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine?
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine is sourced from PubChem (CID 61440812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).