N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine

C16H22F3N — CID 107178295

IUPACN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(F)cc1F)C1CCCC1C
InChIInChI=1S/C16H22F3N/c1-3-7-20-16(11-6-4-5-10(11)2)12-8-14(18)15(19)9-13(12)17/h8-11,16,20H,3-7H2,1-2H3
InChIKeyZQBUHOCWTHPFQA-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.58
Rot. Bonds5

About N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine

N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 107178295) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID107178295
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(F)cc1F)C1CCCC1C
InChIInChI=1S/C16H22F3N/c1-3-7-20-16(11-6-4-5-10(11)2)12-8-14(18)15(19)9-13(12)17/h8-11,16,20H,3-7H2,1-2H3
InChIKeyZQBUHOCWTHPFQA-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
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-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine (CID 107178295) is N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)c(F)cc1F)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is ZQBUHOCWTHPFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-7-20-16(11-6-4-5-10(11)2)12-8-14(18)15(19)9-13(12)17/h8-11,16,20H,3-7H2,1-2H3.
What are the key properties of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107178295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).