1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine

C11H15ClN2 — CID 130854534

IUPAC1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
SMILESNC(c1cccc(Cl)c1)C(N)C1CC1
InChIInChI=1S/C11H15ClN2/c12-9-3-1-2-8(6-9)11(14)10(13)7-4-5-7/h1-3,6-7,10-11H,4-5,13-14H2
InChIKeySUZVHKKDQMLPDJ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine

1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine (PubChem CID 130854534) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
PubChem CID130854534
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
SMILESNC(c1cccc(Cl)c1)C(N)C1CC1
InChIInChI=1S/C11H15ClN2/c12-9-3-1-2-8(6-9)11(14)10(13)7-4-5-7/h1-3,6-7,10-11H,4-5,13-14H2
InChIKeySUZVHKKDQMLPDJ-UHFFFAOYSA-N
XLogP2.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
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(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
1-[(S)-amino-(3-chlorophenyl)methyl]-4-fluorocyclohexan-1-ol
CID 121280886
(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
CID 107187965
1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
(1S,2S)-1-(2-bromo-4-pyridinyl)-2-cyclopropylethane-1,2-diamine
CID 131122759
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine (CID 130854534) is 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine is NC(c1cccc(Cl)c1)C(N)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine?
The InChIKey is SUZVHKKDQMLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-3-1-2-8(6-9)11(14)10(13)7-4-5-7/h1-3,6-7,10-11H,4-5,13-14H2.
What are the key properties of 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine?
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine has a molecular weight of 210.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 130854534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).