N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine

C19H26F3NO2 — CID 164641030

IUPACN-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(C2(NC[C@H]3CCCC(F)(F)C3)CCOCC2)cc1F
InChIInChI=1S/C19H26F3NO2/c1-24-17-5-4-15(11-16(17)20)18(7-9-25-10-8-18)23-13-14-3-2-6-19(21,22)12-14/h4-5,11,14,23H,2-3,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyIRIMPTAYNVUMDD-AWEZNQCLSA-N
MW357.42 g/mol
LogP4.26
Rot. Bonds5

About N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine

N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine (PubChem CID 164641030) has the molecular formula C19H26F3NO2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine
PubChem CID164641030
Molecular FormulaC19H26F3NO2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(C2(NC[C@H]3CCCC(F)(F)C3)CCOCC2)cc1F
InChIInChI=1S/C19H26F3NO2/c1-24-17-5-4-15(11-16(17)20)18(7-9-25-10-8-18)23-13-14-3-2-6-19(21,22)12-14/h4-5,11,14,23H,2-3,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyIRIMPTAYNVUMDD-AWEZNQCLSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405629
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
5-bromo-N-[(3,3-difluorocyclopentyl)methyl]-2-methoxyaniline
CID 114223784
1-chloro-7,7-difluoro-10a-(3-fluoro-4-methoxyphenyl)-6,8,9,10-tetrahydro-5aH-cyclohepta[b][1]benzofuran
CID 25268088

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The IUPAC name of N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine (CID 164641030) is N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine.
What is the SMILES notation for N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The canonical SMILES for N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine is COc1ccc(C2(NC[C@H]3CCCC(F)(F)C3)CCOCC2)cc1F.
What is the InChIKey of N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The InChIKey is IRIMPTAYNVUMDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26F3NO2/c1-24-17-5-4-15(11-16(17)20)18(7-9-25-10-8-18)23-13-14-3-2-6-19(21,22)12-14/h4-5,11,14,23H,2-3,6-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine has a molecular weight of 357.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine is sourced from PubChem (CID 164641030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).