2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol

C11H16FNO — CID 112701198

IUPAC2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyJEHNIXQVFBBOBE-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.64
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol

2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol (PubChem CID 112701198) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
PubChem CID112701198
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyJEHNIXQVFBBOBE-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
CID 115877332
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610
2-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-1-ol
CID 104553979
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol (CID 112701198) is 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is JEHNIXQVFBBOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 112701198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).