N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine

C13H17F2NO — CID 113328356

IUPACN-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
SMILESFC(F)c1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)11-5-3-10(4-6-11)8-16-12-2-1-7-17-9-12/h3-6,12-13,16H,1-2,7-9H2
InChIKeyKKUCUKZVEXQOQG-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.89
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine

N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine (PubChem CID 113328356) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
PubChem CID113328356
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
SMILESFC(F)c1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)11-5-3-10(4-6-11)8-16-12-2-1-7-17-9-12/h3-6,12-13,16H,1-2,7-9H2
InChIKeyKKUCUKZVEXQOQG-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
CID 63359991
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-benzyloxepan-4-amine
CID 65076712
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine (CID 113328356) is N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine is FC(F)c1ccc(CNC2CCCOC2)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine?
The InChIKey is KKUCUKZVEXQOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)11-5-3-10(4-6-11)8-16-12-2-1-7-17-9-12/h3-6,12-13,16H,1-2,7-9H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine?
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine has a molecular weight of 241.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine is sourced from PubChem (CID 113328356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).