4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline

C19H26N2 — CID 61029995

IUPAC4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H26N2/c1-4-9-21(13-17-5-7-19(20)8-6-17)14-18-11-15(2)10-16(3)12-18/h5-8,10-12H,4,9,13-14,20H2,1-3H3
InChIKeyDNETWMJDRVEICY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.30
Rot. Bonds6

About 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline

4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline (PubChem CID 61029995) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
PubChem CID61029995
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H26N2/c1-4-9-21(13-17-5-7-19(20)8-6-17)14-18-11-15(2)10-16(3)12-18/h5-8,10-12H,4,9,13-14,20H2,1-3H3
InChIKeyDNETWMJDRVEICY-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-[[pentyl(propyl)amino]methyl]aniline;prop-1-ene
CID 171834524
4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
CID 107043654
3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline
CID 43459720
4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline?
The IUPAC name of 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline (CID 61029995) is 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline.
What is the SMILES notation for 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline?
The canonical SMILES for 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline is CCCN(Cc1ccc(N)cc1)Cc1cc(C)cc(C)c1.
What is the InChIKey of 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline?
The InChIKey is DNETWMJDRVEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-9-21(13-17-5-7-19(20)8-6-17)14-18-11-15(2)10-16(3)12-18/h5-8,10-12H,4,9,13-14,20H2,1-3H3.
What are the key properties of 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline?
4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline is sourced from PubChem (CID 61029995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).