1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol

C16H23ClFNO2 — CID 78832763

IUPAC1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H23ClFNO2/c1-11(2)21-10-13(20)8-19(12-6-7-12)9-14-15(17)4-3-5-16(14)18/h3-5,11-13,20H,6-10H2,1-2H3
InChIKeyVBOWNYKGOAVAEP-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.23
Rot. Bonds8

About 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol

1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 78832763) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID78832763
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H23ClFNO2/c1-11(2)21-10-13(20)8-19(12-6-7-12)9-14-15(17)4-3-5-16(14)18/h3-5,11-13,20H,6-10H2,1-2H3
InChIKeyVBOWNYKGOAVAEP-UHFFFAOYSA-N
XLogP3.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-(3,4-difluorophenyl)ethanol
CID 97187069
1-[cyclopropyl-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46031754
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 24714107
(2R)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163972
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78896602
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol (CID 78832763) is 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VBOWNYKGOAVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO2/c1-11(2)21-10-13(20)8-19(12-6-7-12)9-14-15(17)4-3-5-16(14)18/h3-5,11-13,20H,6-10H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol?
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 315.82 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78832763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).