N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine

C16H23F2NO — CID 116763237

IUPACN-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)C1(OC)CCCCC1
InChIInChI=1S/C16H23F2NO/c1-3-19-15(13-8-7-12(17)11-14(13)18)16(20-2)9-5-4-6-10-16/h7-8,11,15,19H,3-6,9-10H2,1-2H3
InChIKeyZWWKJXZXAFHWAA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine (PubChem CID 116763237) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
PubChem CID116763237
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)C1(OC)CCCCC1
InChIInChI=1S/C16H23F2NO/c1-3-19-15(13-8-7-12(17)11-14(13)18)16(20-2)9-5-4-6-10-16/h7-8,11,15,19H,3-6,9-10H2,1-2H3
InChIKeyZWWKJXZXAFHWAA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine (CID 116763237) is N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)C1(OC)CCCCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine?
The InChIKey is ZWWKJXZXAFHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-19-15(13-8-7-12(17)11-14(13)18)16(20-2)9-5-4-6-10-16/h7-8,11,15,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116763237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).