N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine

C18H28BrNO — CID 104658059

IUPACN-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
SMILESCCCOc1ccc(C(NCC)C2CCCCC2)cc1Br
InChIInChI=1S/C18H28BrNO/c1-3-12-21-17-11-10-15(13-16(17)19)18(20-4-2)14-8-6-5-7-9-14/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeyZTLOEEKFPPYNAA-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.47
Rot. Bonds7

About N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine

N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine (PubChem CID 104658059) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
PubChem CID104658059
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
SMILESCCCOc1ccc(C(NCC)C2CCCCC2)cc1Br
InChIInChI=1S/C18H28BrNO/c1-3-12-21-17-11-10-15(13-16(17)19)18(20-4-2)14-8-6-5-7-9-14/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeyZTLOEEKFPPYNAA-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine 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-[(3-bromo-4-propoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 104658099
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[(3-bromo-4-propoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 104658037
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
N-[1-(3-bromo-4-propoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104658095
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 104657640

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine (CID 104658059) is N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine is CCCOc1ccc(C(NCC)C2CCCCC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is ZTLOEEKFPPYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-12-21-17-11-10-15(13-16(17)19)18(20-4-2)14-8-6-5-7-9-14/h10-11,13-14,18,20H,3-9,12H2,1-2H3.
What are the key properties of N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine?
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 354.33 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 104658059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).