1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

C12H14F3NO — CID 82711741

IUPAC1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(C2CC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-17-16-7-9-1-3-10(4-2-9)11-5-6-11/h1-4,11,16H,5-8H2
InChIKeyWCDBKEUSFAKZRI-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711741) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711741
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(C2CC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-17-16-7-9-1-3-10(4-2-9)11-5-6-11/h1-4,11,16H,5-8H2
InChIKeyWCDBKEUSFAKZRI-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089
1-(4-methylsulfanylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712799
4-[(2,2,2-trifluoroethoxyamino)methyl]benzoic acid
CID 82711773
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 104822060
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 79969876
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712053
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
CID 79984769

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711741) is 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCc1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is WCDBKEUSFAKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)8-17-16-7-9-1-3-10(4-2-9)11-5-6-11/h1-4,11,16H,5-8H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 245.24 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).