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

C16H23F2N — CID 62197668

IUPAC2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-2-9-19-16-6-4-3-5-13(16)10-12-7-8-14(17)11-15(12)18/h7-8,11,13,16,19H,2-6,9-10H2,1H3
InChIKeyZDMRRNHMSISJKW-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds5

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

2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 62197668) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID62197668
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-2-9-19-16-6-4-3-5-13(16)10-12-7-8-14(17)11-15(12)18/h7-8,11,13,16,19H,2-6,9-10H2,1H3
InChIKeyZDMRRNHMSISJKW-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

2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
4-[(2,5-difluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83195690
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine (CID 62197668) is 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is ZDMRRNHMSISJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-9-19-16-6-4-3-5-13(16)10-12-7-8-14(17)11-15(12)18/h7-8,11,13,16,19H,2-6,9-10H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-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 2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62197668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).