N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline

C13H16F3N — CID 64920498

IUPACN-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3
InChIKeyKDCJOFOVLFQTPN-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.31
Rot. Bonds4

About N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline

N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline (PubChem CID 64920498) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
PubChem CID64920498
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3
InChIKeyKDCJOFOVLFQTPN-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
N-(1-cyclohexylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329261
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline (CID 64920498) is N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline is CCC(Nc1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline?
The InChIKey is KDCJOFOVLFQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline?
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline has a molecular weight of 243.27 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 64920498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).