N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine

C16H23ClFN — CID 102621837

IUPACN-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFN/c1-2-8-19-11-13-5-3-4-12(13)9-14-10-15(18)6-7-16(14)17/h6-7,10,12-13,19H,2-5,8-9,11H2,1H3
InChIKeyFSUYHUMRUMNXET-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds6

About N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine

N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 102621837) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID102621837
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFN/c1-2-8-19-11-13-5-3-4-12(13)9-14-10-15(18)6-7-16(14)17/h6-7,10,12-13,19H,2-5,8-9,11H2,1H3
InChIKeyFSUYHUMRUMNXET-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 102621866
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine (CID 102621837) is N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1Cc1cc(F)ccc1Cl.
What is the InChIKey of N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is FSUYHUMRUMNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-8-19-11-13-5-3-4-12(13)9-14-10-15(18)6-7-16(14)17/h6-7,10,12-13,19H,2-5,8-9,11H2,1H3.
What are the key properties of N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine?
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 102621837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).