2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine

C16H26BrN — CID 63522612

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)CC(C)CC
InChIInChI=1S/C16H26BrN/c1-4-13(3)10-15(12-18-5-2)11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyKDOUCEODULZZRY-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.65
Rot. Bonds8

About 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine

2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine (PubChem CID 63522612) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
PubChem CID63522612
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)CC(C)CC
InChIInChI=1S/C16H26BrN/c1-4-13(3)10-15(12-18-5-2)11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyKDOUCEODULZZRY-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522112

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine (CID 63522612) is 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine is CCNCC(Cc1ccc(Br)cc1)CC(C)CC.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine?
The InChIKey is KDOUCEODULZZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-13(3)10-15(12-18-5-2)11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 63522612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).