N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine

C14H22FNO — CID 65048786

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1ccc(F)cc1C)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-8-12-5-6-13(15)7-11(12)3/h5-7,10,14,16H,8-9H2,1-4H3
InChIKeyVRSGLELSMMBVBY-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.89
Rot. Bonds6

About N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65048786) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65048786
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1ccc(F)cc1C)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-8-12-5-6-13(15)7-11(12)3/h5-7,10,14,16H,8-9H2,1-4H3
InChIKeyVRSGLELSMMBVBY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxypropan-2-amine
CID 106180822
N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106152583
N-[(4-bromo-2-fluorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049646
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
4-bromo-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-2-amine
CID 114349186
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 65048786) is N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCc1ccc(F)cc1C)C(C)C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is VRSGLELSMMBVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-8-12-5-6-13(15)7-11(12)3/h5-7,10,14,16H,8-9H2,1-4H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65048786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).