N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine

C18H28BrNO — CID 63474322

IUPACN-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C18H28BrNO/c1-14(2)20-12-18(16-10-6-7-11-17(16)19)21-13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyGYTBCHJTCDHEQT-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.09
Rot. Bonds7

About N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine

N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine (PubChem CID 63474322) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
PubChem CID63474322
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C18H28BrNO/c1-14(2)20-12-18(16-10-6-7-11-17(16)19)21-13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyGYTBCHJTCDHEQT-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-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

N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
4-[[2-bromo-1-(2-bromophenyl)ethoxy]methyl]oxane
CID 55066481
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-2-methylbenzene
CID 114773988
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine (CID 63474322) is N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine is CC(C)NCC(OCC1CCCCC1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine?
The InChIKey is GYTBCHJTCDHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-14(2)20-12-18(16-10-6-7-11-17(16)19)21-13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,20H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine?
N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 63474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).