3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride

C16H15Cl3N2 — CID 159605665

IUPAC3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N#Cc1cccc(Cl)c1.NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN.C7H4ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;8-7-3-1-2-6(4-7)5-9;/h1-3,6H,4-5,11H2;1-4H;1H
InChIKeyQAQXIGPKGWEFKN-UHFFFAOYSA-N
MW341.67 g/mol
LogP4.92
Rot. Bonds1

About 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride

3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 159605665) has the molecular formula C16H15Cl3N2 and a molecular weight of 341.67 g/mol. Its IUPAC name is 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID159605665
Molecular FormulaC16H15Cl3N2
Molecular Weight341.67 g/mol
Exact Mass340.03
IUPAC Name3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N#Cc1cccc(Cl)c1.NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN.C7H4ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;8-7-3-1-2-6(4-7)5-9;/h1-3,6H,4-5,11H2;1-4H;1H
InChIKeyQAQXIGPKGWEFKN-UHFFFAOYSA-N
XLogP4.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
4-amino-4-(3-chlorophenyl)cyclohexan-1-one
CID 115034262
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
3-(1-hydroxycyclobutyl)benzonitrile
CID 141367616
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
4-[4-(3-chlorophenyl)buta-1,3-diynyl]benzonitrile
CID 71697683
4-(1-aminocyclobutyl)benzonitrile;hydrochloride
CID 71742690
1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine
CID 105471892
3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride (CID 159605665) is 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride is Cl.N#Cc1cccc(Cl)c1.NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is QAQXIGPKGWEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.C7H4ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;8-7-3-1-2-6(4-7)5-9;/h1-3,6H,4-5,11H2;1-4H;1H.
What are the key properties of 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 341.67 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 159605665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).