1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine

C14H22BrNO — CID 116715692

IUPAC1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(CC)OC
InChIInChI=1S/C14H22BrNO/c1-4-14(17-3)13(16-5-2)10-11-7-6-8-12(15)9-11/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyCOBAWPOSQYIWBA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.39
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine

1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine (PubChem CID 116715692) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
PubChem CID116715692
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(CC)OC
InChIInChI=1S/C14H22BrNO/c1-4-14(17-3)13(16-5-2)10-11-7-6-8-12(15)9-11/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyCOBAWPOSQYIWBA-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-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-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
CID 116715729
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine (CID 116715692) is 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine is CCNC(Cc1cccc(Br)c1)C(CC)OC.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine?
The InChIKey is COBAWPOSQYIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(17-3)13(16-5-2)10-11-7-6-8-12(15)9-11/h6-9,13-14,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116715692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).