1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine

C16H26BrN — CID 63419613

IUPAC1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(Cc1ccccc1Br)NCC
InChIInChI=1S/C16H26BrN/c1-4-8-13(3)11-15(18-5-2)12-14-9-6-7-10-16(14)17/h6-7,9-10,13,15,18H,4-5,8,11-12H2,1-3H3
InChIKeyZALRLMLRXZLMQH-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds8

About 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine

1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine (PubChem CID 63419613) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
PubChem CID63419613
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(Cc1ccccc1Br)NCC
InChIInChI=1S/C16H26BrN/c1-4-8-13(3)11-15(18-5-2)12-14-9-6-7-10-16(14)17/h6-7,9-10,13,15,18H,4-5,8,11-12H2,1-3H3
InChIKeyZALRLMLRXZLMQH-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-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

1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
CID 114284863
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine (CID 63419613) is 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine is CCCC(C)CC(Cc1ccccc1Br)NCC.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine?
The InChIKey is ZALRLMLRXZLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-8-13(3)11-15(18-5-2)12-14-9-6-7-10-16(14)17/h6-7,9-10,13,15,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine?
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine is sourced from PubChem (CID 63419613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).