2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine

C16H26BrN — CID 63520892

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
SMILESCCNCC(CCC(C)C)Cc1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-4-18-12-14(10-9-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyPYOCZSIGGXBDOT-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.65
Rot. Bonds8

About 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine (PubChem CID 63520892) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
PubChem CID63520892
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
SMILESCCNCC(CCC(C)C)Cc1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-4-18-12-14(10-9-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyPYOCZSIGGXBDOT-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 ≤ 500312.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165923
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine (CID 63520892) is 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine is CCNCC(CCC(C)C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine?
The InChIKey is PYOCZSIGGXBDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-18-12-14(10-9-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine has a molecular weight of 312.29 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-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 63520892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).