1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol

C14H21ClFNO — CID 112654826

IUPAC1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFNO/c1-10(2)8-17-9-14(3,18)7-11-5-4-6-12(16)13(11)15/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyBFHOISGHZZUCNK-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.02
Rot. Bonds6

About 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol

1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol (PubChem CID 112654826) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
PubChem CID112654826
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFNO/c1-10(2)8-17-9-14(3,18)7-11-5-4-6-12(16)13(11)15/h4-6,10,17-18H,7-9H2,1-3H3
InChIKeyBFHOISGHZZUCNK-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
CID 112652111
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
2-[(2-chloro-3-fluorophenyl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 112654272
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol (CID 112654826) is 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(C)(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is BFHOISGHZZUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-10(2)8-17-9-14(3,18)7-11-5-4-6-12(16)13(11)15/h4-6,10,17-18H,7-9H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 273.78 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 112654826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).