1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

C14H18F3NO2 — CID 66038452

IUPAC1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCC(O)(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-13(19,9-18-11-4-5-11)8-10-2-6-12(7-3-10)20-14(15,16)17/h2-3,6-7,11,18-19H,4-5,8-9H2,1H3
InChIKeyUANMSMDPNLQADG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.63
Rot. Bonds6

About 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 66038452) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID66038452
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCC(O)(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-13(19,9-18-11-4-5-11)8-10-2-6-12(7-3-10)20-14(15,16)17/h2-3,6-7,11,18-19H,4-5,8-9H2,1H3
InChIKeyUANMSMDPNLQADG-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-(cyclopropylmethyl)-2-methyl-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
CID 111867838
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (CID 66038452) is 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is CC(O)(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is UANMSMDPNLQADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(19,9-18-11-4-5-11)8-10-2-6-12(7-3-10)20-14(15,16)17/h2-3,6-7,11,18-19H,4-5,8-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 66038452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).