N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C14H16F3NO — CID 106210646

IUPACN-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESC=CCOc1ccccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO/c1-2-9-19-12-6-4-3-5-11(12)10-18-13(7-8-13)14(15,16)17/h2-6,18H,1,7-10H2
InChIKeyHNFZQMINAQKAAU-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.44
Rot. Bonds6

About N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210646) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210646
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESC=CCOc1ccccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO/c1-2-9-19-12-6-4-3-5-11(12)10-18-13(7-8-13)14(15,16)17/h2-6,18H,1,7-10H2
InChIKeyHNFZQMINAQKAAU-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
CID 79090979
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210646) is N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is C=CCOc1ccccc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is HNFZQMINAQKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-9-19-12-6-4-3-5-11(12)10-18-13(7-8-13)14(15,16)17/h2-6,18H,1,7-10H2.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 271.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).