N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine

C15H21F2N — CID 64742190

IUPACN-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-2-11-5-3-6-12(9-11)18-10-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3
InChIKeyFWXCSWOWUXPDKT-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine

N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 64742190) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID64742190
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-2-11-5-3-6-12(9-11)18-10-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3
InChIKeyFWXCSWOWUXPDKT-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
CID 78999328
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-[(2,6-difluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64732261
3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117141
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067007
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 64742005
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine (CID 64742190) is N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCc2c(F)cccc2F)C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is FWXCSWOWUXPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-11-5-3-6-12(9-11)18-10-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64742190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).