2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine

C18H27ClFN — CID 103047226

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFN/c1-3-9-21-18-8-5-13(4-2)10-15(18)11-14-12-16(19)6-7-17(14)20/h6-7,12-13,15,18,21H,3-5,8-11H2,1-2H3
InChIKeyXTEGEEYAWLEXLQ-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.22
Rot. Bonds6

About 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine

2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 103047226) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID103047226
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFN/c1-3-9-21-18-8-5-13(4-2)10-15(18)11-14-12-16(19)6-7-17(14)20/h6-7,12-13,15,18,21H,3-5,8-11H2,1-2H3
InChIKeyXTEGEEYAWLEXLQ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 103047253
2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63403450
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 114862740
2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
4-[(2,5-difluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83195690
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine (CID 103047226) is 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is XTEGEEYAWLEXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-3-9-21-18-8-5-13(4-2)10-15(18)11-14-12-16(19)6-7-17(14)20/h6-7,12-13,15,18,21H,3-5,8-11H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 311.87 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103047226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).