2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine

C13H19ClN2 — CID 65382963

IUPAC2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine
SMILESCCC(CN)(Nc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H19ClN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3
InChIKeyXZIWEDSRQHLTTH-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.27
Rot. Bonds5

About 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine

2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine (PubChem CID 65382963) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine
PubChem CID65382963
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine
SMILESCCC(CN)(Nc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H19ClN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3
InChIKeyXZIWEDSRQHLTTH-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine
CID 65384865
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
methyl 2-(3-chloroanilino)-2-cyclohexylpropanoate
CID 63524098
2-(3-chloroanilino)-2-ethylhexanenitrile
CID 63951845
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567039
2-(3-chlorophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64632525
ethyl 2-(3-chloroanilino)-2-ethyl-4-methylhexanoate
CID 63526029

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine (CID 65382963) is 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine is CCC(CN)(Nc1cccc(Cl)c1)C1CC1.
What is the InChIKey of 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine?
The InChIKey is XZIWEDSRQHLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3.
What are the key properties of 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine?
2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine is sourced from PubChem (CID 65382963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).