N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine

C19H22FNO — CID 54586719

IUPACN-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
InChIInChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3
InChIKeyKSYYFCDUINESKT-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.53
Rot. Bonds5

About N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine

N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine (PubChem CID 54586719) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine
PubChem CID54586719
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
InChIInChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3
InChIKeyKSYYFCDUINESKT-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine (CID 54586719) is N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine is COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1.
What is the InChIKey of N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine?
The InChIKey is KSYYFCDUINESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3.
What are the key properties of N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine?
N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine has a molecular weight of 299.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 54586719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).