N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine

C16H22ClNO — CID 62595167

IUPACN-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1C1(CNC2CC2)CCCC1
InChIInChI=1S/C16H22ClNO/c1-19-15-7-4-12(17)10-14(15)16(8-2-3-9-16)11-18-13-5-6-13/h4,7,10,13,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyWCSLRAKVYUMBFQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.91
Rot. Bonds5

About N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine

N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62595167) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID62595167
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1C1(CNC2CC2)CCCC1
InChIInChI=1S/C16H22ClNO/c1-19-15-7-4-12(17)10-14(15)16(8-2-3-9-16)11-18-13-5-6-13/h4,7,10,13,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyWCSLRAKVYUMBFQ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(5-chloro-2-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63512396
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one
CID 95624551
N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519317
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine (CID 62595167) is N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine is COc1ccc(Cl)cc1C1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is WCSLRAKVYUMBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-19-15-7-4-12(17)10-14(15)16(8-2-3-9-16)11-18-13-5-6-13/h4,7,10,13,18H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62595167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).