1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine

C14H22FNO — CID 63889804

IUPAC1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(CC(N)CC(C)(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-14(2,3)9-11(16)7-10-5-6-13(17-4)12(15)8-10/h5-6,8,11H,7,9,16H2,1-4H3
InChIKeyNBFMTCKIJVYZPB-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.14
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine

1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine (PubChem CID 63889804) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
PubChem CID63889804
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(CC(N)CC(C)(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-14(2,3)9-11(16)7-10-5-6-13(17-4)12(15)8-10/h5-6,8,11H,7,9,16H2,1-4H3
InChIKeyNBFMTCKIJVYZPB-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine (CID 63889804) is 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine is COc1ccc(CC(N)CC(C)(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is NBFMTCKIJVYZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)9-11(16)7-10-5-6-13(17-4)12(15)8-10/h5-6,8,11H,7,9,16H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63889804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).