(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride

C16H17Cl2N — CID 138040827

IUPAC(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C16H16ClN.ClH/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11;/h1-9,13-14,16H,10,18H2;1H
InChIKeyPWNDAQDLVCBWAQ-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.57
Rot. Bonds3

About (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride

(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride (PubChem CID 138040827) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
PubChem CID138040827
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C16H16ClN.ClH/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11;/h1-9,13-14,16H,10,18H2;1H
InChIKeyPWNDAQDLVCBWAQ-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052562
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105211221
[(2,3-dichlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105301714
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
[(2-chloro-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341508

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride?
The IUPAC name of (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride (CID 138040827) is (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride?
The canonical SMILES for (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride is Cl.NC(c1ccccc1Cl)C1CC1c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride?
The InChIKey is PWNDAQDLVCBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c17-15-9-5-4-8-12(15)16(18)14-10-13(14)11-6-2-1-3-7-11;/h1-9,13-14,16H,10,18H2;1H.
What are the key properties of (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride?
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 138040827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).