N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

C16H26N2O — CID 103069640

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O/c1-13(2)17-10-14(3)11-18(4)12-15-7-6-8-16(9-15)19-5/h6-9,13,17H,3,10-12H2,1-2,4-5H3
InChIKeyGLWDQVBTUWRCIO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.68
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103069640) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103069640
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O/c1-13(2)17-10-14(3)11-18(4)12-15-7-6-8-16(9-15)19-5/h6-9,13,17H,3,10-12H2,1-2,4-5H3
InChIKeyGLWDQVBTUWRCIO-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
CID 65475947

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (CID 103069640) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GLWDQVBTUWRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-10-14(3)11-18(4)12-15-7-6-8-16(9-15)19-5/h6-9,13,17H,3,10-12H2,1-2,4-5H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103069640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).