N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

C18H26ClNO — CID 115953858

IUPACN-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCCC1CCC(Oc2c(Cl)cccc2CNC2CC2)CC1
InChIInChI=1S/C18H26ClNO/c1-2-13-6-10-16(11-7-13)21-18-14(4-3-5-17(18)19)12-20-15-8-9-15/h3-5,13,15-16,20H,2,6-12H2,1H3
InChIKeyOVMWKBDCAGETKS-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.94
Rot. Bonds6

About N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 115953858) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
PubChem CID115953858
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCCC1CCC(Oc2c(Cl)cccc2CNC2CC2)CC1
InChIInChI=1S/C18H26ClNO/c1-2-13-6-10-16(11-7-13)21-18-14(4-3-5-17(18)19)12-20-15-8-9-15/h3-5,13,15-16,20H,2,6-12H2,1H3
InChIKeyOVMWKBDCAGETKS-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine 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-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 112611895
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (CID 115953858) is N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is CCC1CCC(Oc2c(Cl)cccc2CNC2CC2)CC1.
What is the InChIKey of N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is OVMWKBDCAGETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-2-13-6-10-16(11-7-13)21-18-14(4-3-5-17(18)19)12-20-15-8-9-15/h3-5,13,15-16,20H,2,6-12H2,1H3.
What are the key properties of N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).