N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C19H26N2O2 — CID 78824238

IUPACN-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1cc(CNC(CN(C)C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H26N2O2/c1-21(2)14-19(16-8-6-5-7-9-16)20-13-15-10-17(22-3)12-18(11-15)23-4/h5-12,19-20H,13-14H2,1-4H3
InChIKeyAJPGNIGEUQHKEO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.10
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 78824238) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID78824238
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1cc(CNC(CN(C)C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H26N2O2/c1-21(2)14-19(16-8-6-5-7-9-16)20-13-15-10-17(22-3)12-18(11-15)23-4/h5-12,19-20H,13-14H2,1-4H3
InChIKeyAJPGNIGEUQHKEO-UHFFFAOYSA-N
XLogP3.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823902
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824249
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823898
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 66611858
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 116500789
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 51104816

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 78824238) is N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is COc1cc(CNC(CN(C)C)c2ccccc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is AJPGNIGEUQHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-21(2)14-19(16-8-6-5-7-9-16)20-13-15-10-17(22-3)12-18(11-15)23-4/h5-12,19-20H,13-14H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 78824238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).