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

C11H16FNO — CID 83699270

IUPAC2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C(C)(C)CN)ccc1F
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6H,7,13H2,1-3H3
InChIKeyRKBHBLJYIXJAOM-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.07
Rot. Bonds3

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

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 83699270) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID83699270
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C(C)(C)CN)ccc1F
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6H,7,13H2,1-3H3
InChIKeyRKBHBLJYIXJAOM-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 83835033
2-(8-methoxynaphthalen-2-yl)-2-methylpropan-1-amine
CID 105487006
2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine
CID 117046684
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine (CID 83699270) is 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine is COc1cc(C(C)(C)CN)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is RKBHBLJYIXJAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine?
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83699270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).