N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

C18H26ClNO — CID 115953723

IUPACN-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(Oc2c(Cl)cccc2CNC2CC2)C1
InChIInChI=1S/C18H26ClNO/c1-12-8-13(2)10-16(9-12)21-18-14(4-3-5-17(18)19)11-20-15-6-7-15/h3-5,12-13,15-16,20H,6-11H2,1-2H3
InChIKeyIRSHEFUIFHRNTR-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 115953723) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
PubChem CID115953723
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(Oc2c(Cl)cccc2CNC2CC2)C1
InChIInChI=1S/C18H26ClNO/c1-12-8-13(2)10-16(9-12)21-18-14(4-3-5-17(18)19)11-20-15-6-7-15/h3-5,12-13,15-16,20H,6-11H2,1-2H3
InChIKeyIRSHEFUIFHRNTR-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
3-(2,6-dichlorophenoxy)-N-methylcyclobutan-1-amine
CID 66359692
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (CID 115953723) is N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is CC1CC(C)CC(Oc2c(Cl)cccc2CNC2CC2)C1.
What is the InChIKey of N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is IRSHEFUIFHRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-12-8-13(2)10-16(9-12)21-18-14(4-3-5-17(18)19)11-20-15-6-7-15/h3-5,12-13,15-16,20H,6-11H2,1-2H3.
What are the key properties of N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).