3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline

C17H24BrNO — CID 64624414

IUPAC3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H24BrNO/c1-20-11-15-16(18)6-3-7-17(15)19-14-5-2-4-13(10-14)12-8-9-12/h3,6-7,12-14,19H,2,4-5,8-11H2,1H3
InChIKeyYLVPXUDMUYOCCM-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.98
Rot. Bonds5

About 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline

3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline (PubChem CID 64624414) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
PubChem CID64624414
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H24BrNO/c1-20-11-15-16(18)6-3-7-17(15)19-14-5-2-4-13(10-14)12-8-9-12/h3,6-7,12-14,19H,2,4-5,8-11H2,1H3
InChIKeyYLVPXUDMUYOCCM-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline 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-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
N-[3-bromo-2-(methoxymethyl)phenyl]-1-oxothian-4-amine
CID 54981971
N-[3-bromo-2-(methoxymethyl)phenyl]adamantan-2-amine
CID 63452783
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658673
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364448
N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63452223
N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348973
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
CID 61168560
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
CID 61165998
N-[3-bromo-2-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466413
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline?
The IUPAC name of 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline (CID 64624414) is 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline?
The canonical SMILES for 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline is COCc1c(Br)cccc1NC1CCCC(C2CC2)C1.
What is the InChIKey of 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline?
The InChIKey is YLVPXUDMUYOCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-20-11-15-16(18)6-3-7-17(15)19-14-5-2-4-13(10-14)12-8-9-12/h3,6-7,12-14,19H,2,4-5,8-11H2,1H3.
What are the key properties of 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline?
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline has a molecular weight of 338.29 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 64624414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).