2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride

C14H15Cl2N — CID 3052629

IUPAC2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN.ClH/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12;/h1-9,14H,10,16H2;1H
InChIKeyVWGCJYLRMVCORO-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.00
Rot. Bonds3

About 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride

2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride (PubChem CID 3052629) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
PubChem CID3052629
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN.ClH/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12;/h1-9,14H,10,16H2;1H
InChIKeyVWGCJYLRMVCORO-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
CID 67924879
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride (CID 3052629) is 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride is Cl.NC(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride?
The InChIKey is VWGCJYLRMVCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN.ClH/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12;/h1-9,14H,10,16H2;1H.
What are the key properties of 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride?
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride has a molecular weight of 268.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 3052629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).