[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

C14H18ClF2NO — CID 117468012

IUPAC[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(Cl)cc(C2(CN)CCCC2)c(F)c1F
InChIInChI=1S/C14H18ClF2NO/c1-19-7-9-11(15)6-10(13(17)12(9)16)14(8-18)4-2-3-5-14/h6H,2-5,7-8,18H2,1H3
InChIKeyKTTIFXJGRCDSRR-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.54
Rot. Bonds4

About [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117468012) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
PubChem CID117468012
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC Name[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(Cl)cc(C2(CN)CCCC2)c(F)c1F
InChIInChI=1S/C14H18ClF2NO/c1-19-7-9-11(15)6-10(13(17)12(9)16)14(8-18)4-2-3-5-14/h6H,2-5,7-8,18H2,1H3
InChIKeyKTTIFXJGRCDSRR-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (CID 117468012) is [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is COCc1c(Cl)cc(C2(CN)CCCC2)c(F)c1F.
What is the InChIKey of [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is KTTIFXJGRCDSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO/c1-19-7-9-11(15)6-10(13(17)12(9)16)14(8-18)4-2-3-5-14/h6H,2-5,7-8,18H2,1H3.
What are the key properties of [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 289.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117468012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).