(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride

C16H18ClN — CID 170919041

IUPAC(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17N.ClH/c17-16(13-5-2-1-3-6-13)15-8-4-7-14(11-15)12-9-10-12;/h1-8,11-12,16H,9-10,17H2;1H
InChIKeyVIPPLQKDXYSLPZ-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.03
Rot. Bonds3

About (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride

(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride (PubChem CID 170919041) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
PubChem CID170919041
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17N.ClH/c17-16(13-5-2-1-3-6-13)15-8-4-7-14(11-15)12-9-10-12;/h1-8,11-12,16H,9-10,17H2;1H
InChIKeyVIPPLQKDXYSLPZ-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride?
The IUPAC name of (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride (CID 170919041) is (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride?
The canonical SMILES for (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride is Cl.NC(c1ccccc1)c1cccc(C2CC2)c1.
What is the InChIKey of (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride?
The InChIKey is VIPPLQKDXYSLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.ClH/c17-16(13-5-2-1-3-6-13)15-8-4-7-14(11-15)12-9-10-12;/h1-8,11-12,16H,9-10,17H2;1H.
What are the key properties of (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride?
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-phenylmethanamine;hydrochloride is sourced from PubChem (CID 170919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).