1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol

C12H15ClFNO — CID 112653170

IUPAC1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
SMILESNCC(O)(Cc1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-11-8(2-1-3-10(11)14)6-12(16,7-15)9-4-5-9/h1-3,9,16H,4-7,15H2
InChIKeyLWRNUTBQPQUORI-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.12
Rot. Bonds4

About 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol

1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol (PubChem CID 112653170) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
PubChem CID112653170
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
SMILESNCC(O)(Cc1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-11-8(2-1-3-10(11)14)6-12(16,7-15)9-4-5-9/h1-3,9,16H,4-7,15H2
InChIKeyLWRNUTBQPQUORI-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640347
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
1-(2-chloro-3-fluorophenyl)-2-phenylpentan-2-ol
CID 115983354

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol (CID 112653170) is 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol is NCC(O)(Cc1cccc(F)c1Cl)C1CC1.
What is the InChIKey of 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The InChIKey is LWRNUTBQPQUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-8(2-1-3-10(11)14)6-12(16,7-15)9-4-5-9/h1-3,9,16H,4-7,15H2.
What are the key properties of 1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol has a molecular weight of 243.71 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-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 112653170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).