N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine

C19H26N2 — CID 43203759

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-19(16-10-6-5-7-11-16)20-14-17-12-8-9-13-18(17)15-21(2)3/h5-13,19-20H,4,14-15H2,1-3H3
InChIKeyZVOOEUZITMXOPB-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.99
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine (PubChem CID 43203759) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
PubChem CID43203759
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-19(16-10-6-5-7-11-16)20-14-17-12-8-9-13-18(17)15-21(2)3/h5-13,19-20H,4,14-15H2,1-3H3
InChIKeyZVOOEUZITMXOPB-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62305715
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CID 61213022
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
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N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
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N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
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CID 114871625

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine (CID 43203759) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine is CCC(NCc1ccccc1CN(C)C)c1ccccc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine?
The InChIKey is ZVOOEUZITMXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-19(16-10-6-5-7-11-16)20-14-17-12-8-9-13-18(17)15-21(2)3/h5-13,19-20H,4,14-15H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 43203759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).