3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

C16H23F2N — CID 116539573

IUPAC3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2N/c1-3-8-19-14-6-7-16(2,11-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,14,19H,3,6-8,10-11H2,1-2H3
InChIKeyLCYOCFDQSHRVEQ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds5

About 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539573) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539573
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2N/c1-3-8-19-14-6-7-16(2,11-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,14,19H,3,6-8,10-11H2,1-2H3
InChIKeyLCYOCFDQSHRVEQ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
3-[(5-chloro-2-fluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 103050496
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (CID 116539573) is 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is LCYOCFDQSHRVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-8-19-14-6-7-16(2,11-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,14,19H,3,6-8,10-11H2,1-2H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).