cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine

C15H22FNO — CID 154664437

IUPACcis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@H]1CCC[C@@H]1COc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(2)17-15-5-3-4-12(15)10-18-14-8-6-13(16)7-9-14/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyZVEBGZBMMUPYOH-DOMZBBRYSA-N
MW251.34 g/mol
LogP3.37
Rot. Bonds5

About cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine

cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine (PubChem CID 154664437) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine
PubChem CID154664437
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Namecis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@H]1CCC[C@@H]1COc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(2)17-15-5-3-4-12(15)10-18-14-8-6-13(16)7-9-14/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyZVEBGZBMMUPYOH-DOMZBBRYSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine (CID 154664437) is cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine is CC(C)N[C@H]1CCC[C@@H]1COc1ccc(F)cc1.
What is the InChIKey of cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is ZVEBGZBMMUPYOH-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)17-15-5-3-4-12(15)10-18-14-8-6-13(16)7-9-14/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine?
cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 154664437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).