3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

C15H22FNO — CID 43561214

IUPAC3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-18-12-7-8-13(14(16)10-12)15(17)9-6-11-4-2-3-5-11/h7-8,10-11,15H,2-6,9,17H2,1H3
InChIKeyCKDKFSZCZDIZIF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds5

About 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 43561214) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID43561214
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-18-12-7-8-13(14(16)10-12)15(17)9-6-11-4-2-3-5-11/h7-8,10-11,15H,2-6,9,17H2,1H3
InChIKeyCKDKFSZCZDIZIF-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (CID 43561214) is 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)CCC2CCCC2)c(F)c1.
What is the InChIKey of 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is CKDKFSZCZDIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-12-7-8-13(14(16)10-12)15(17)9-6-11-4-2-3-5-11/h7-8,10-11,15H,2-6,9,17H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43561214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).