N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C16H23F2N — CID 107177529

IUPACN-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-9-19-16(13-6-4-5-11(13)2)14-8-7-12(17)10-15(14)18/h7-8,10-11,13,16,19H,3-6,9H2,1-2H3
InChIKeyFHEKTHMYEKXNRR-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107177529) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107177529
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-9-19-16(13-6-4-5-11(13)2)14-8-7-12(17)10-15(14)18/h7-8,10-11,13,16,19H,3-6,9H2,1-2H3
InChIKeyFHEKTHMYEKXNRR-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188961
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107177000
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107177529) is N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)C1CCCC1C.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is FHEKTHMYEKXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-9-19-16(13-6-4-5-11(13)2)14-8-7-12(17)10-15(14)18/h7-8,10-11,13,16,19H,3-6,9H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107177529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).