N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine

C16H23F2NO2 — CID 79882223

IUPACN-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OC2CCCC(OC)C2)c(F)c1
InChIInChI=1S/C16H23F2NO2/c1-3-19-10-11-7-14(17)16(15(18)8-11)21-13-6-4-5-12(9-13)20-2/h7-8,12-13,19H,3-6,9-10H2,1-2H3
InChIKeyGOHXPVZDVKOVAJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.41
Rot. Bonds6

About N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine

N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine (PubChem CID 79882223) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
PubChem CID79882223
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OC2CCCC(OC)C2)c(F)c1
InChIInChI=1S/C16H23F2NO2/c1-3-19-10-11-7-14(17)16(15(18)8-11)21-13-6-4-5-12(9-13)20-2/h7-8,12-13,19H,3-6,9-10H2,1-2H3
InChIKeyGOHXPVZDVKOVAJ-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 79892393
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
CID 79892159
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-1-amine
CID 114619872
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
CID 82930013
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79150743
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 79882722
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine (CID 79882223) is N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine is CCNCc1cc(F)c(OC2CCCC(OC)C2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine?
The InChIKey is GOHXPVZDVKOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-3-19-10-11-7-14(17)16(15(18)8-11)21-13-6-4-5-12(9-13)20-2/h7-8,12-13,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 79882223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).