[2-fluoro-4-(2-methylpropyl)phenyl]methanamine

C11H16FN — CID 63887126

IUPAC[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN)c(F)c1
InChIInChI=1S/C11H16FN/c1-8(2)5-9-3-4-10(7-13)11(12)6-9/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyKJADAXYRRBHTKY-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.48
Rot. Bonds3

About [2-fluoro-4-(2-methylpropyl)phenyl]methanamine

[2-fluoro-4-(2-methylpropyl)phenyl]methanamine (PubChem CID 63887126) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is [2-fluoro-4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
PubChem CID63887126
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN)c(F)c1
InChIInChI=1S/C11H16FN/c1-8(2)5-9-3-4-10(7-13)11(12)6-9/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyKJADAXYRRBHTKY-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
2-[2-fluoro-4-(2-methylpropyl)phenyl]acetonitrile
CID 155973458
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
CID 22743258
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
[4-(butan-2-ylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530004
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
CID 155088151
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene
CID 167041831

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(2-methylpropyl)phenyl]methanamine (CID 63887126) is [2-fluoro-4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1ccc(CN)c(F)c1.
What is the InChIKey of [2-fluoro-4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is KJADAXYRRBHTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)5-9-3-4-10(7-13)11(12)6-9/h3-4,6,8H,5,7,13H2,1-2H3.
What are the key properties of [2-fluoro-4-(2-methylpropyl)phenyl]methanamine?
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 181.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 63887126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).