(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine

C16H23F2NO2 — CID 97229301

IUPAC(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
SMILESC[C@@H](NCCc1ccc(OC(F)F)cc1)C1CCOCC1
InChIInChI=1S/C16H23F2NO2/c1-12(14-7-10-20-11-8-14)19-9-6-13-2-4-15(5-3-13)21-16(17)18/h2-5,12,14,16,19H,6-11H2,1H3/t12-/m1/s1
InChIKeyJNHHNSDWCMHMJG-GFCCVEGCSA-N
MW299.36 g/mol
LogP3.24
Rot. Bonds7

About (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine

(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 97229301) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID97229301
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
SMILESC[C@@H](NCCc1ccc(OC(F)F)cc1)C1CCOCC1
InChIInChI=1S/C16H23F2NO2/c1-12(14-7-10-20-11-8-14)19-9-6-13-2-4-15(5-3-13)21-16(17)18/h2-5,12,14,16,19H,6-11H2,1H3/t12-/m1/s1
InChIKeyJNHHNSDWCMHMJG-GFCCVEGCSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine
CID 82726102
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9283612
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine (CID 97229301) is (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine is C[C@@H](NCCc1ccc(OC(F)F)cc1)C1CCOCC1.
What is the InChIKey of (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is JNHHNSDWCMHMJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-12(14-7-10-20-11-8-14)19-9-6-13-2-4-15(5-3-13)21-16(17)18/h2-5,12,14,16,19H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine?
(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 299.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 97229301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).