(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine

C14H20FNO — CID 79034595

IUPAC(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(16)12-6-7-14(13(15)8-12)17-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,16H2,1H3/t10-/m0/s1
InChIKeyHAFCLZGZUATRPQ-JTQLQIEISA-N
MW237.32 g/mol
LogP3.41
Rot. Bonds4

About (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine

(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine (PubChem CID 79034595) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
PubChem CID79034595
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(16)12-6-7-14(13(15)8-12)17-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,16H2,1H3/t10-/m0/s1
InChIKeyHAFCLZGZUATRPQ-JTQLQIEISA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117388527
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine (CID 79034595) is (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine is C[C@H](N)c1ccc(OCC2CCCC2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine?
The InChIKey is HAFCLZGZUATRPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(16)12-6-7-14(13(15)8-12)17-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 79034595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).