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

C14H22BrN — CID 60819223

IUPAC1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyPPXFEJQLBUOWOQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.02
Rot. Bonds6

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

1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 60819223) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID60819223
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyPPXFEJQLBUOWOQ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
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1-(3-bromophenyl)-N-ethyloctan-2-amine
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(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
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1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine (CID 60819223) is 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1cccc(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is PPXFEJQLBUOWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine?
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.02, 6 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-4-methylpentan-2-amine is sourced from PubChem (CID 60819223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).