1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine

C12H18FNO — CID 114348131

IUPAC1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C12H18FNO/c1-8-6-11(13)5-4-10(8)7-12(14)9(2)15-3/h4-6,9,12H,7,14H2,1-3H3
InChIKeyOUACFJWEFQYBPL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine

1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine (PubChem CID 114348131) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
PubChem CID114348131
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C12H18FNO/c1-8-6-11(13)5-4-10(8)7-12(14)9(2)15-3/h4-6,9,12H,7,14H2,1-3H3
InChIKeyOUACFJWEFQYBPL-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051216
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine (CID 114348131) is 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine is COC(C)C(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine?
The InChIKey is OUACFJWEFQYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8-6-11(13)5-4-10(8)7-12(14)9(2)15-3/h4-6,9,12H,7,14H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 114348131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).