2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol

C12H18FNO — CID 83925713

IUPAC2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCC(CN)CO)c(F)c1
InChIInChI=1S/C12H18FNO/c1-9-2-4-11(12(13)6-9)5-3-10(7-14)8-15/h2,4,6,10,15H,3,5,7-8,14H2,1H3
InChIKeyLOMPZYUHIGTUDR-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.63
Rot. Bonds5

About 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol

2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol (PubChem CID 83925713) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol
PubChem CID83925713
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCC(CN)CO)c(F)c1
InChIInChI=1S/C12H18FNO/c1-9-2-4-11(12(13)6-9)5-3-10(7-14)8-15/h2,4,6,10,15H,3,5,7-8,14H2,1H3
InChIKeyLOMPZYUHIGTUDR-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene
CID 142979204
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol (CID 83925713) is 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol is Cc1ccc(CCC(CN)CO)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol?
The InChIKey is LOMPZYUHIGTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-2-4-11(12(13)6-9)5-3-10(7-14)8-15/h2,4,6,10,15H,3,5,7-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol?
2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 83925713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).