2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine

C17H20BrN — CID 60819321

IUPAC2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrN/c1-12(2)14-6-8-15(9-7-14)17(19)11-13-4-3-5-16(18)10-13/h3-10,12,17H,11,19H2,1-2H3
InChIKeyWXUIPOMNHNUKDR-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.82
Rot. Bonds4

About 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine

2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 60819321) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID60819321
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrN/c1-12(2)14-6-8-15(9-7-14)17(19)11-13-4-3-5-16(18)10-13/h3-10,12,17H,11,19H2,1-2H3
InChIKeyWXUIPOMNHNUKDR-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346
N-[(3-bromophenyl)methyl]-4-propan-2-ylaniline
CID 29276780
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 60819321) is 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is WXUIPOMNHNUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12(2)14-6-8-15(9-7-14)17(19)11-13-4-3-5-16(18)10-13/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 60819321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).