N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine

C18H30BrNO — CID 43734033

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCOc1ccc(C(C)NC(CC(C)C)CC(C)C)cc1Br
InChIInChI=1S/C18H30BrNO/c1-12(2)9-16(10-13(3)4)20-14(5)15-7-8-18(21-6)17(19)11-15/h7-8,11-14,16,20H,9-10H2,1-6H3
InChIKeyFXSMNARDMBWCFF-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.57
Rot. Bonds8

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine (PubChem CID 43734033) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
PubChem CID43734033
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCOc1ccc(C(C)NC(CC(C)C)CC(C)C)cc1Br
InChIInChI=1S/C18H30BrNO/c1-12(2)9-16(10-13(3)4)20-14(5)15-7-8-18(21-6)17(19)11-15/h7-8,11-14,16,20H,9-10H2,1-6H3
InChIKeyFXSMNARDMBWCFF-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 43734064
2-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43792404
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725202
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine (CID 43734033) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine is COc1ccc(C(C)NC(CC(C)C)CC(C)C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is FXSMNARDMBWCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-12(2)9-16(10-13(3)4)20-14(5)15-7-8-18(21-6)17(19)11-15/h7-8,11-14,16,20H,9-10H2,1-6H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 356.35 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43734033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).