1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol

C10H13ClFNO — CID 167001188

IUPAC1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c1-13-5-4-10(14)8-3-2-7(11)6-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyYNVCNOAAVWFWBA-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol

1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol (PubChem CID 167001188) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
PubChem CID167001188
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c1-13-5-4-10(14)8-3-2-7(11)6-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyYNVCNOAAVWFWBA-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
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3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
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1-(4-chloro-2-fluorophenyl)-5,5-dimethylhex-3-yn-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol (CID 167001188) is 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol is CNCCC(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol?
The InChIKey is YNVCNOAAVWFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-13-5-4-10(14)8-3-2-7(11)6-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol?
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 167001188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).