N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine

C15H20ClF2N — CID 115779199

IUPACN-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(Cl)cc1F)C1CCCC1
InChIInChI=1S/C15H20ClF2N/c1-2-7-19-15(10-5-3-4-6-10)11-8-14(18)12(16)9-13(11)17/h8-10,15,19H,2-7H2,1H3
InChIKeyHGJUCNAEGWZCAD-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.85
Rot. Bonds5

About N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine

N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine (PubChem CID 115779199) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
PubChem CID115779199
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC NameN-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(Cl)cc1F)C1CCCC1
InChIInChI=1S/C15H20ClF2N/c1-2-7-19-15(10-5-3-4-6-10)11-8-14(18)12(16)9-13(11)17/h8-10,15,19H,2-7H2,1H3
InChIKeyHGJUCNAEGWZCAD-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.85
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-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138788
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine (CID 115779199) is N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine is CCCNC(c1cc(F)c(Cl)cc1F)C1CCCC1.
What is the InChIKey of N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine?
The InChIKey is HGJUCNAEGWZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-2-7-19-15(10-5-3-4-6-10)11-8-14(18)12(16)9-13(11)17/h8-10,15,19H,2-7H2,1H3.
What are the key properties of N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine?
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine has a molecular weight of 287.78 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine is sourced from PubChem (CID 115779199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).