1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine

C19H24BrN — CID 115788902

IUPAC1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(CC)c1ccccc1
InChIInChI=1S/C19H24BrN/c1-3-18(16-10-6-5-7-11-16)19(21-4-2)14-15-9-8-12-17(20)13-15/h5-13,18-19,21H,3-4,14H2,1-2H3
InChIKeyMZCOSQGPPIHWNX-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.16
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine

1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine (PubChem CID 115788902) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
PubChem CID115788902
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(CC)c1ccccc1
InChIInChI=1S/C19H24BrN/c1-3-18(16-10-6-5-7-11-16)19(21-4-2)14-15-9-8-12-17(20)13-15/h5-13,18-19,21H,3-4,14H2,1-2H3
InChIKeyMZCOSQGPPIHWNX-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83051533
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
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1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
CID 116773119
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
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CID 66161199

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine (CID 115788902) is 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine is CCNC(Cc1cccc(Br)c1)C(CC)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine?
The InChIKey is MZCOSQGPPIHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-3-18(16-10-6-5-7-11-16)19(21-4-2)14-15-9-8-12-17(20)13-15/h5-13,18-19,21H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine is sourced from PubChem (CID 115788902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).