2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine

C16H26BrN — CID 79442599

IUPAC2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
SMILESCCNCC(CCC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-18-12-14(9-10-16(2,3)4)13-7-6-8-15(17)11-13/h6-8,11,14,18H,5,9-10,12H2,1-4H3
InChIKeyPIRQFAYZUKGOJK-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.97
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine

2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine (PubChem CID 79442599) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
PubChem CID79442599
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
SMILESCCNCC(CCC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-18-12-14(9-10-16(2,3)4)13-7-6-8-15(17)11-13/h6-8,11,14,18H,5,9-10,12H2,1-4H3
InChIKeyPIRQFAYZUKGOJK-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-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-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine (CID 79442599) is 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine is CCNCC(CCC(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The InChIKey is PIRQFAYZUKGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-18-12-14(9-10-16(2,3)4)13-7-6-8-15(17)11-13/h6-8,11,14,18H,5,9-10,12H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 79442599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).