2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine

C14H22BrN — CID 62528161

IUPAC2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)C(C)C
InChIInChI=1S/C14H22BrN/c1-4-16-10-13(11(2)3)8-12-6-5-7-14(15)9-12/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeyOTSRZCZMIBVBKZ-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.87
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine

2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 62528161) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
PubChem CID62528161
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)C(C)C
InChIInChI=1S/C14H22BrN/c1-4-16-10-13(11(2)3)8-12-6-5-7-14(15)9-12/h5-7,9,11,13,16H,4,8,10H2,1-3H3
InChIKeyOTSRZCZMIBVBKZ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62514915
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
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2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
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3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
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2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
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N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine (CID 62528161) is 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine is CCNCC(Cc1cccc(Br)c1)C(C)C.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is OTSRZCZMIBVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-16-10-13(11(2)3)8-12-6-5-7-14(15)9-12/h5-7,9,11,13,16H,4,8,10H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).