3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline

C17H21FN2 — CID 43459720

IUPAC3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(F)cc1)Cc1cccc(N)c1
InChIInChI=1S/C17H21FN2/c1-2-10-20(12-14-6-8-16(18)9-7-14)13-15-4-3-5-17(19)11-15/h3-9,11H,2,10,12-13,19H2,1H3
InChIKeyFXRXVPDZLNMINY-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.82
Rot. Bonds6

About 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline

3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline (PubChem CID 43459720) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline
PubChem CID43459720
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(F)cc1)Cc1cccc(N)c1
InChIInChI=1S/C17H21FN2/c1-2-10-20(12-14-6-8-16(18)9-7-14)13-15-4-3-5-17(19)11-15/h3-9,11H,2,10,12-13,19H2,1H3
InChIKeyFXRXVPDZLNMINY-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554
3-[[(4-bromo-2-fluorophenyl)methyl-propylamino]methyl]aniline
CID 43459778
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
3-[[2-methylpentyl(propyl)amino]methyl]aniline
CID 62265016
2-[[(3-aminophenyl)methyl-propylamino]methyl]benzonitrile
CID 43459753
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
3-[[(2,4-dichlorophenyl)methyl-propylamino]methyl]aniline
CID 43459758
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
3-[(3-aminophenyl)methyl-propylamino]propane-1,2-diol
CID 82850437
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline?
The IUPAC name of 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline (CID 43459720) is 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline.
What is the SMILES notation for 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline?
The canonical SMILES for 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline is CCCN(Cc1ccc(F)cc1)Cc1cccc(N)c1.
What is the InChIKey of 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline?
The InChIKey is FXRXVPDZLNMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-10-20(12-14-6-8-16(18)9-7-14)13-15-4-3-5-17(19)11-15/h3-9,11H,2,10,12-13,19H2,1H3.
What are the key properties of 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline?
3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline is sourced from PubChem (CID 43459720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).