N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H27N3O — CID 102991518

IUPACN'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1cc(N)cc(OC)c1
InChIInChI=1S/C15H27N3O/c1-5-18(8-6-7-17(2)3)12-13-9-14(16)11-15(10-13)19-4/h9-11H,5-8,12,16H2,1-4H3
InChIKeyGEMCBWWQHOCIDH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.05
Rot. Bonds8

About N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991518) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991518
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1cc(N)cc(OC)c1
InChIInChI=1S/C15H27N3O/c1-5-18(8-6-7-17(2)3)12-13-9-14(16)11-15(10-13)19-4/h9-11H,5-8,12,16H2,1-4H3
InChIKeyGEMCBWWQHOCIDH-UHFFFAOYSA-N
XLogP2.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991518) is N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)Cc1cc(N)cc(OC)c1.
What is the InChIKey of N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is GEMCBWWQHOCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-18(8-6-7-17(2)3)12-13-9-14(16)11-15(10-13)19-4/h9-11H,5-8,12,16H2,1-4H3.
What are the key properties of N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).