N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine

C15H22FNO2 — CID 115563685

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCOc1ccc(CNC2CCOC(C)(C)C2)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(2)9-12(6-7-19-15)17-10-11-4-5-14(18-3)13(16)8-11/h4-5,8,12,17H,6-7,9-10H2,1-3H3
InChIKeyYNENHPMFUFWBGZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563685) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563685
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCOc1ccc(CNC2CCOC(C)(C)C2)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(2)9-12(6-7-19-15)17-10-11-4-5-14(18-3)13(16)8-11/h4-5,8,12,17H,6-7,9-10H2,1-3H3
InChIKeyYNENHPMFUFWBGZ-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]oxan-4-amine
CID 105378639
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
3-[[(2,2-dimethyloxan-4-yl)amino]methyl]benzoic acid
CID 103261138
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
N-[(3-chloro-4-methoxyphenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965738
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine (CID 115563685) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine is COc1ccc(CNC2CCOC(C)(C)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is YNENHPMFUFWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2)9-12(6-7-19-15)17-10-11-4-5-14(18-3)13(16)8-11/h4-5,8,12,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).