cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine

C20H24FNO — CID 90768102

IUPACcis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
SMILESCOc1cc([C@@H](C)N[C@H]2CC[C@@H](c3ccccc3)C2)ccc1F
InChIInChI=1S/C20H24FNO/c1-14(16-9-11-19(21)20(13-16)23-2)22-18-10-8-17(12-18)15-6-4-3-5-7-15/h3-7,9,11,13-14,17-18,22H,8,10,12H2,1-2H3/t14-,17-,18+/m1/s1
InChIKeyFOUKBGZRZXFCTH-OLMNPRSZSA-N
MW313.42 g/mol
LogP4.82
Rot. Bonds5

About cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine

cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine (PubChem CID 90768102) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
PubChem CID90768102
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Namecis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
SMILESCOc1cc([C@@H](C)N[C@H]2CC[C@@H](c3ccccc3)C2)ccc1F
InChIInChI=1S/C20H24FNO/c1-14(16-9-11-19(21)20(13-16)23-2)22-18-10-8-17(12-18)15-6-4-3-5-7-15/h3-7,9,11,13-14,17-18,22H,8,10,12H2,1-2H3/t14-,17-,18+/m1/s1
InChIKeyFOUKBGZRZXFCTH-OLMNPRSZSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-3-(2-methylsulfonylpyrimidin-5-yl)cyclopentan-1-amine
CID 77361988
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 75298646
N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
CID 91357944
4-[4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzoyl]piperazin-2-one
CID 91582215
4-[3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]cyclopentyl]-N-[7-hydroxy-4-(2-hydroxyethyl)heptyl]benzamide
CID 91531453
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103881379
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 75298644
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine (CID 90768102) is cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine is COc1cc([C@@H](C)N[C@H]2CC[C@@H](c3ccccc3)C2)ccc1F.
What is the InChIKey of cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine?
The InChIKey is FOUKBGZRZXFCTH-OLMNPRSZSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14(16-9-11-19(21)20(13-16)23-2)22-18-10-8-17(12-18)15-6-4-3-5-7-15/h3-7,9,11,13-14,17-18,22H,8,10,12H2,1-2H3/t14-,17-,18+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine?
cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine has a molecular weight of 313.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine is sourced from PubChem (CID 90768102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).