2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone

C14H18FNO — CID 82116606

IUPAC2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CNC2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10-8-11(6-7-13(10)15)14(17)9-16-12-4-2-3-5-12/h6-8,12,16H,2-5,9H2,1H3
InChIKeyWOZSQOPBOJDMSV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.85
Rot. Bonds4

About 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone

2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 82116606) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID82116606
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CNC2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10-8-11(6-7-13(10)15)14(17)9-16-12-4-2-3-5-12/h6-8,12,16H,2-5,9H2,1H3
InChIKeyWOZSQOPBOJDMSV-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone (CID 82116606) is 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CNC2CCCC2)ccc1F.
What is the InChIKey of 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is WOZSQOPBOJDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-8-11(6-7-13(10)15)14(17)9-16-12-4-2-3-5-12/h6-8,12,16H,2-5,9H2,1H3.
What are the key properties of 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 82116606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).