1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

C18H22BrN — CID 115844346

IUPAC1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(C(C)C)cc2)ccc1Br
InChIInChI=1S/C18H22BrN/c1-12(2)15-6-4-14(5-7-15)11-18(20)16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3
InChIKeyGPDZPNXNWGGHLY-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844346) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844346
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(C(C)C)cc2)ccc1Br
InChIInChI=1S/C18H22BrN/c1-12(2)15-6-4-14(5-7-15)11-18(20)16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3
InChIKeyGPDZPNXNWGGHLY-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844346) is 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is Cc1cc(C(N)Cc2ccc(C(C)C)cc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is GPDZPNXNWGGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-12(2)15-6-4-14(5-7-15)11-18(20)16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 332.29 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).