N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine

C17H18ClNO — CID 61025295

IUPACN-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1CNC1CC1
InChIInChI=1S/C17H18ClNO/c1-20-17-9-4-13(12-2-5-15(18)6-3-12)10-14(17)11-19-16-7-8-16/h2-6,9-10,16,19H,7-8,11H2,1H3
InChIKeyLRGNSMKCRFCIIO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.27
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine

N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 61025295) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
PubChem CID61025295
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1CNC1CC1
InChIInChI=1S/C17H18ClNO/c1-20-17-9-4-13(12-2-5-15(18)6-3-12)10-14(17)11-19-16-7-8-16/h2-6,9-10,16,19H,7-8,11H2,1H3
InChIKeyLRGNSMKCRFCIIO-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-[[5-(4-chlorophenyl)-2-methoxyphenyl]methylamino]cyclohexyl]-N-methylcarbamate
CID 59683614
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582
4-N-[[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 69166234
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 79602381
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 134817377
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 87719605
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine
CID 68943884

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine (CID 61025295) is N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(-c2ccc(Cl)cc2)cc1CNC1CC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is LRGNSMKCRFCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-17-9-4-13(12-2-5-15(18)6-3-12)10-14(17)11-19-16-7-8-16/h2-6,9-10,16,19H,7-8,11H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine?
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 287.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61025295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).