1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride

C18H23BrClN — CID 18790284

IUPAC1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NCCCc1ccccc1.Cl
InChIInChI=1S/C18H22BrN.ClH/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;1H
InChIKeyBAMGMZWJLYBBTK-UHFFFAOYSA-N
MW368.75 g/mol
LogP5.02
Rot. Bonds7

About 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride

1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride (PubChem CID 18790284) has the molecular formula C18H23BrClN and a molecular weight of 368.75 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
PubChem CID18790284
Molecular FormulaC18H23BrClN
Molecular Weight368.75 g/mol
Exact Mass367.07
IUPAC Name1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NCCCc1ccccc1.Cl
InChIInChI=1S/C18H22BrN.ClH/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;1H
InChIKeyBAMGMZWJLYBBTK-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.75
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
CID 155119438
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
N-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
CID 103522476
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride (CID 18790284) is 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride is CC(Cc1ccc(Br)cc1)NCCCc1ccccc1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride?
The InChIKey is BAMGMZWJLYBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN.ClH/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;1H.
What are the key properties of 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride?
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride has a molecular weight of 368.75 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 18790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).