N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine

C15H20F3NO — CID 63320061

IUPACN-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-2-7-19-9-12-5-6-14(20-10-11-3-4-11)13(8-12)15(16,17)18/h5-6,8,11,19H,2-4,7,9-10H2,1H3
InChIKeySFCNYVSTEVECDM-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.99
Rot. Bonds7

About N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 63320061) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID63320061
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-2-7-19-9-12-5-6-14(20-10-11-3-4-11)13(8-12)15(16,17)18/h5-6,8,11,19H,2-4,7,9-10H2,1H3
InChIKeySFCNYVSTEVECDM-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-[[4-ethoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320023
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320255
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 143869125
4-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]-1-methylsulfanylpiperidine
CID 168879276
N-[[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80700225
4-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxane
CID 63320632
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 63320061) is N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is SFCNYVSTEVECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-7-19-9-12-5-6-14(20-10-11-3-4-11)13(8-12)15(16,17)18/h5-6,8,11,19H,2-4,7,9-10H2,1H3.
What are the key properties of N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63320061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).