N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine

C19H26N2 — CID 62613615

IUPACN,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-16-8-7-9-17(14-16)15-21(3)13-12-19(20-2)18-10-5-4-6-11-18/h4-11,14,19-20H,12-13,15H2,1-3H3
InChIKeyKQCFTGAWSIYSGR-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.78
Rot. Bonds7

About N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine

N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine (PubChem CID 62613615) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
PubChem CID62613615
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-16-8-7-9-17(14-16)15-21(3)13-12-19(20-2)18-10-5-4-6-11-18/h4-11,14,19-20H,12-13,15H2,1-3H3
InChIKeyKQCFTGAWSIYSGR-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074601
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105092929
N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62618052
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503457
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine (CID 62613615) is N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine is CNC(CCN(C)Cc1cccc(C)c1)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine?
The InChIKey is KQCFTGAWSIYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-16-8-7-9-17(14-16)15-21(3)13-12-19(20-2)18-10-5-4-6-11-18/h4-11,14,19-20H,12-13,15H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine?
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62613615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).