1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

C14H22FNOS — CID 65135677

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCOc1ccc(CC(N)CSCC(C)C)cc1F
InChIInChI=1S/C14H22FNOS/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12H,6,8-9,16H2,1-3H3
InChIKeyUGZRRLKGSAJUFF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.09
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135677) has the molecular formula C14H22FNOS and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135677
Molecular FormulaC14H22FNOS
Molecular Weight271.40 g/mol
Exact Mass271.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCOc1ccc(CC(N)CSCC(C)C)cc1F
InChIInChI=1S/C14H22FNOS/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12H,6,8-9,16H2,1-3H3
InChIKeyUGZRRLKGSAJUFF-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
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
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)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135677) is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is COc1ccc(CC(N)CSCC(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is UGZRRLKGSAJUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOS/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12H,6,8-9,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).