N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 66161691

IUPACN-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(C)cc1-c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C18H20ClNO/c1-12-3-8-18(21-2)17(9-12)16-7-4-14(19)10-13(16)11-20-15-5-6-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3
InChIKeyAXYBERBEOCQXPA-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.58
Rot. Bonds5

About N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 66161691) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID66161691
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(C)cc1-c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C18H20ClNO/c1-12-3-8-18(21-2)17(9-12)16-7-4-14(19)10-13(16)11-20-15-5-6-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3
InChIKeyAXYBERBEOCQXPA-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[2-[(cyclopropylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148950
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine (CID 66161691) is N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine is COc1ccc(C)cc1-c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is AXYBERBEOCQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-3-8-18(21-2)17(9-12)16-7-4-14(19)10-13(16)11-20-15-5-6-15/h3-4,7-10,15,20H,5-6,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66161691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).