3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine

C16H24FNO — CID 64506176

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-8-18-14-6-4-12(10-14)9-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3
InChIKeyYZLVDSMXBXYYAV-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.55
Rot. Bonds6

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine

3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 64506176) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
PubChem CID64506176
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-8-18-14-6-4-12(10-14)9-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3
InChIKeyYZLVDSMXBXYYAV-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-propylcyclopentan-1-amine
CID 64503574
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
CID 63473181
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine (CID 64506176) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is YZLVDSMXBXYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-8-18-14-6-4-12(10-14)9-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine?
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64506176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).