1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine

C13H20FNO — CID 62601628

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(CC(N)CC(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)6-11(15)7-10-4-5-13(16-3)12(14)8-10/h4-5,8-9,11H,6-7,15H2,1-3H3
InChIKeyRRWLVRYQJWSTJB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 62601628) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID62601628
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(CC(N)CC(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)6-11(15)7-10-4-5-13(16-3)12(14)8-10/h4-5,8-9,11H,6-7,15H2,1-3H3
InChIKeyRRWLVRYQJWSTJB-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
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-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
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-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
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-methylpentan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine (CID 62601628) is 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine is COc1ccc(CC(N)CC(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is RRWLVRYQJWSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)6-11(15)7-10-4-5-13(16-3)12(14)8-10/h4-5,8-9,11H,6-7,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.75, 5 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-methylpentan-2-amine is sourced from PubChem (CID 62601628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).