4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine

C18H22BrN — CID 81024527

IUPAC4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-2-20-14-17(16-8-4-3-5-9-16)12-11-15-7-6-10-18(19)13-15/h3-10,13,17,20H,2,11-12,14H2,1H3
InChIKeyXRLWRTGFHSWMQD-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.78
Rot. Bonds7

About 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine

4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 81024527) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID81024527
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-2-20-14-17(16-8-4-3-5-9-16)12-11-15-7-6-10-18(19)13-15/h3-10,13,17,20H,2,11-12,14H2,1H3
InChIKeyXRLWRTGFHSWMQD-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine (CID 81024527) is 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine is CCNCC(CCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is XRLWRTGFHSWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-2-20-14-17(16-8-4-3-5-9-16)12-11-15-7-6-10-18(19)13-15/h3-10,13,17,20H,2,11-12,14H2,1H3.
What are the key properties of 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine?
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81024527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).