N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine

C17H26FNO — CID 106878787

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C1CCCCO1
InChIInChI=1S/C17H26FNO/c1-4-8-19-17(15-7-5-6-9-20-15)16-12(2)10-14(18)11-13(16)3/h10-11,15,17,19H,4-9H2,1-3H3
InChIKeyXCDCEGVEJFVLJB-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.05
Rot. Bonds5

About N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine

N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine (PubChem CID 106878787) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
PubChem CID106878787
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C1CCCCO1
InChIInChI=1S/C17H26FNO/c1-4-8-19-17(15-7-5-6-9-20-15)16-12(2)10-14(18)11-13(16)3/h10-11,15,17,19H,4-9H2,1-3H3
InChIKeyXCDCEGVEJFVLJB-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 62867456
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine (CID 106878787) is N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine is CCCNC(c1c(C)cc(F)cc1C)C1CCCCO1.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine?
The InChIKey is XCDCEGVEJFVLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-8-19-17(15-7-5-6-9-20-15)16-12(2)10-14(18)11-13(16)3/h10-11,15,17,19H,4-9H2,1-3H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine?
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106878787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).