2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol

C12H17F2NO — CID 115250791

IUPAC2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-2-9(8-16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyPZQZCVWZUZGPFI-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.07
Rot. Bonds6

About 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol

2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol (PubChem CID 115250791) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
PubChem CID115250791
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-2-9(8-16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyPZQZCVWZUZGPFI-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
3-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]pentanoic acid
CID 81066849
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-chloro-N-[(4-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 114859402
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol (CID 115250791) is 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol is CCC(CO)CNCc1ccc(F)cc1F.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol?
The InChIKey is PZQZCVWZUZGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-9(8-16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,9,15-16H,2,6-8H2,1H3.
What are the key properties of 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol?
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).