3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine

C17H26FNO — CID 163872490

IUPAC3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc(F)c([C@@H](C)NCCCC2CCCC2)c1
InChIInChI=1S/C17H26FNO/c1-13(16-12-15(20-2)9-10-17(16)18)19-11-5-8-14-6-3-4-7-14/h9-10,12-14,19H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyPMAYEVJRZNIGFL-CYBMUJFWSA-N
MW279.40 g/mol
LogP4.46
Rot. Bonds7

About 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine

3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 163872490) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine
PubChem CID163872490
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc(F)c([C@@H](C)NCCCC2CCCC2)c1
InChIInChI=1S/C17H26FNO/c1-13(16-12-15(20-2)9-10-17(16)18)19-11-5-8-14-6-3-4-7-14/h9-10,12-14,19H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyPMAYEVJRZNIGFL-CYBMUJFWSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)ethylhydrazine
CID 83808299
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 43206774
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-cyclopropylpropan-1-amine
CID 115638957
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561214
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 85020035
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine (CID 163872490) is 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine is COc1ccc(F)c([C@@H](C)NCCCC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is PMAYEVJRZNIGFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(16-12-15(20-2)9-10-17(16)18)19-11-5-8-14-6-3-4-7-14/h9-10,12-14,19H,3-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine?
3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 163872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).