1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol

C14H21F2NO — CID 103748523

IUPAC1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
SMILESCC(C)Cc1ccc(CNCC(O)C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-10(2)7-11-3-5-12(6-4-11)8-17-9-13(18)14(15)16/h3-6,10,13-14,17-18H,7-9H2,1-2H3
InChIKeyBPARNVRZIGVPDI-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.60
Rot. Bonds7

About 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol

1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol (PubChem CID 103748523) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
PubChem CID103748523
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
SMILESCC(C)Cc1ccc(CNCC(O)C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-10(2)7-11-3-5-12(6-4-11)8-17-9-13(18)14(15)16/h3-6,10,13-14,17-18H,7-9H2,1-2H3
InChIKeyBPARNVRZIGVPDI-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
2-[4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenyl]propanoic acid
CID 114093868
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
1,1-difluoro-3-[(4-pyrrolidin-1-ylphenyl)methylamino]propan-2-ol
CID 103731452
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
3-(4-ethylphenyl)-1,1-difluoropropan-2-ol
CID 112575617
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol (CID 103748523) is 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol is CC(C)Cc1ccc(CNCC(O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol?
The InChIKey is BPARNVRZIGVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)7-11-3-5-12(6-4-11)8-17-9-13(18)14(15)16/h3-6,10,13-14,17-18H,7-9H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol?
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 103748523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).