1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine

C14H22FNO — CID 116724590

IUPAC1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(c1ccccc1F)C(OC)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(17-5)12(16-4)10-8-6-7-9-11(10)15/h6-9,12-13,16H,1-5H3
InChIKeyFEMSHXCVVUHDOU-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine

1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 116724590) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
PubChem CID116724590
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(c1ccccc1F)C(OC)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(17-5)12(16-4)10-8-6-7-9-11(10)15/h6-9,12-13,16H,1-5H3
InChIKeyFEMSHXCVVUHDOU-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116724571
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444
1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197204
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
2-[(2-fluorophenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959808
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874
2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959735
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724512
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine (CID 116724590) is 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine is CNC(c1ccccc1F)C(OC)C(C)(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is FEMSHXCVVUHDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)13(17-5)12(16-4)10-8-6-7-9-11(10)15/h6-9,12-13,16H,1-5H3.
What are the key properties of 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116724590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).