1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine

C18H20BrN — CID 79979302

IUPAC1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(C2CC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN/c1-13(15-7-9-18(19)10-8-15)20-12-14-3-2-4-17(11-14)16-5-6-16/h2-4,7-11,13,16,20H,5-6,12H2,1H3
InChIKeyNBFINLRRODUIKN-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.18
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine

1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine (PubChem CID 79979302) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
PubChem CID79979302
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(C2CC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN/c1-13(15-7-9-18(19)10-8-15)20-12-14-3-2-4-17(11-14)16-5-6-16/h2-4,7-11,13,16,20H,5-6,12H2,1H3
InChIKeyNBFINLRRODUIKN-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine (CID 79979302) is 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine is CC(NCc1cccc(C2CC2)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is NBFINLRRODUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13(15-7-9-18(19)10-8-15)20-12-14-3-2-4-17(11-14)16-5-6-16/h2-4,7-11,13,16,20H,5-6,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 330.27 g/mol, XLogP of 5.18, 5 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-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 79979302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).