(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride

C16H19BrClN — CID 67924879

IUPAC(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)c1ccc(CCBr)cc1
InChIInChI=1S/C16H18BrN.ClH/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,18H2;1H/t16-;/m0./s1
InChIKeyHXPHJSSRFIRQDN-NTISSMGPSA-N
MW340.69 g/mol
LogP4.29
Rot. Bonds5

About (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride

(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride (PubChem CID 67924879) has the molecular formula C16H19BrClN and a molecular weight of 340.69 g/mol. Its IUPAC name is (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
PubChem CID67924879
Molecular FormulaC16H19BrClN
Molecular Weight340.69 g/mol
Exact Mass339.04
IUPAC Name(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)c1ccc(CCBr)cc1
InChIInChI=1S/C16H18BrN.ClH/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,18H2;1H/t16-;/m0./s1
InChIKeyHXPHJSSRFIRQDN-NTISSMGPSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide
CID 174284135
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
(1R)-1,4-diphenylbutan-1-amine
CID 7131342

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride (CID 67924879) is (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride is Cl.N[C@@H](Cc1ccccc1)c1ccc(CCBr)cc1.
What is the InChIKey of (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride?
The InChIKey is HXPHJSSRFIRQDN-NTISSMGPSA-N. The full InChI is InChI=1S/C16H18BrN.ClH/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,18H2;1H/t16-;/m0./s1.
What are the key properties of (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride?
(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride has a molecular weight of 340.69 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 67924879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).