N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine

C13H18ClNO — CID 96661815

IUPACN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
SMILESCOc1c(C)cc(Cl)cc1CCNC1CC1
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)8-10(13(9)16-2)5-6-15-12-3-4-12/h7-8,12,15H,3-6H2,1-2H3
InChIKeyUWCCIZHGYJQSEK-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine

N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine (PubChem CID 96661815) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
PubChem CID96661815
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
SMILESCOc1c(C)cc(Cl)cc1CCNC1CC1
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)8-10(13(9)16-2)5-6-15-12-3-4-12/h7-8,12,15H,3-6H2,1-2H3
InChIKeyUWCCIZHGYJQSEK-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81049360
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propanenitrile
CID 115231106
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 98033387
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116925460
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine (CID 96661815) is N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine is COc1c(C)cc(Cl)cc1CCNC1CC1.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is UWCCIZHGYJQSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-11(14)8-10(13(9)16-2)5-6-15-12-3-4-12/h7-8,12,15H,3-6H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine?
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 239.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 96661815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).