(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine

C16H16ClN — CID 63079140

IUPAC(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(Cl)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H16ClN/c17-14-8-4-5-12(11-14)15(18)16(9-10-16)13-6-2-1-3-7-13/h1-8,11,15H,9-10,18H2
InChIKeyMXCSNMWAZLFZMI-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.07
Rot. Bonds3

About (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine

(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine (PubChem CID 63079140) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
PubChem CID63079140
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(Cl)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H16ClN/c17-14-8-4-5-12(11-14)15(18)16(9-10-16)13-6-2-1-3-7-13/h1-8,11,15H,9-10,18H2
InChIKeyMXCSNMWAZLFZMI-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
1-[(S)-amino-(3-chlorophenyl)methyl]-4-fluorocyclohexan-1-ol
CID 121280886
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
CID 130854534

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine (CID 63079140) is (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine is NC(c1cccc(Cl)c1)C1(c2ccccc2)CC1.
What is the InChIKey of (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine?
The InChIKey is MXCSNMWAZLFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-14-8-4-5-12(11-14)15(18)16(9-10-16)13-6-2-1-3-7-13/h1-8,11,15H,9-10,18H2.
What are the key properties of (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine?
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine has a molecular weight of 257.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 63079140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).