1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine

C14H20F3N3 — CID 61475029

IUPAC1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(CN1CCCC1)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H20F3N3/c1-10(9-20-6-2-3-7-20)19-13-5-4-11(8-12(13)18)14(15,16)17/h4-5,8,10,19H,2-3,6-7,9,18H2,1H3
InChIKeyZFBXEPYKRXQKFM-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.18
Rot. Bonds4

About 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 61475029) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID61475029
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(CN1CCCC1)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H20F3N3/c1-10(9-20-6-2-3-7-20)19-13-5-4-11(8-12(13)18)14(15,16)17/h4-5,8,10,19H,2-3,6-7,9,18H2,1H3
InChIKeyZFBXEPYKRXQKFM-UHFFFAOYSA-N
XLogP3.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 107303520
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 62646330
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720566
4-methyl-3-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62590164
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61474884
3-fluoro-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62711373
4-amino-3-(1-pyrrolidin-1-ylpropan-2-ylamino)benzonitrile
CID 104711678
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62912151
3-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 61475029) is 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is CC(CN1CCCC1)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is ZFBXEPYKRXQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-10(9-20-6-2-3-7-20)19-13-5-4-11(8-12(13)18)14(15,16)17/h4-5,8,10,19H,2-3,6-7,9,18H2,1H3.
What are the key properties of 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 287.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 61475029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).