2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine

C14H22FNO — CID 112566569

IUPAC2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCOc1cccc(CC(F)(CN)C(C)(C)C)c1
InChIInChI=1S/C14H22FNO/c1-13(2,3)14(15,10-16)9-11-6-5-7-12(8-11)17-4/h5-8H,9-10,16H2,1-4H3
InChIKeyLULRKNUXIPUUIL-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.95
Rot. Bonds4

About 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine

2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 112566569) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID112566569
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCOc1cccc(CC(F)(CN)C(C)(C)C)c1
InChIInChI=1S/C14H22FNO/c1-13(2,3)14(15,10-16)9-11-6-5-7-12(8-11)17-4/h5-8H,9-10,16H2,1-4H3
InChIKeyLULRKNUXIPUUIL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
1-methoxy-3-propylbenzene
CID 14270128
2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566590
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine (CID 112566569) is 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine is COc1cccc(CC(F)(CN)C(C)(C)C)c1.
What is the InChIKey of 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is LULRKNUXIPUUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-13(2,3)14(15,10-16)9-11-6-5-7-12(8-11)17-4/h5-8H,9-10,16H2,1-4H3.
What are the key properties of 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine?
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).