N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine

C16H24FNO — CID 43561568

IUPACN-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1F)C1CCCC1
InChIInChI=1S/C16H24FNO/c1-3-10-18-16(12-6-4-5-7-12)14-9-8-13(19-2)11-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyMLQINKIYYJBWNX-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.07
Rot. Bonds6

About N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine

N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 43561568) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID43561568
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1F)C1CCCC1
InChIInChI=1S/C16H24FNO/c1-3-10-18-16(12-6-4-5-7-12)14-9-8-13(19-2)11-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyMLQINKIYYJBWNX-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine (CID 43561568) is N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is MLQINKIYYJBWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-10-18-16(12-6-4-5-7-12)14-9-8-13(19-2)11-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3.
What are the key properties of N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43561568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).