1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine

C16H28N2O — CID 62984847

IUPAC1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)N(C)CCCOC
InChIInChI=1S/C16H28N2O/c1-5-17-16(15-10-7-6-8-11-15)14(2)18(3)12-9-13-19-4/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3
InChIKeyKVGZGLFTKVXJGF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds9

About 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine

1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine (PubChem CID 62984847) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
PubChem CID62984847
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)N(C)CCCOC
InChIInChI=1S/C16H28N2O/c1-5-17-16(15-10-7-6-8-11-15)14(2)18(3)12-9-13-19-4/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3
InChIKeyKVGZGLFTKVXJGF-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 63465127
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62985686
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 63465492
2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63469362

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine (CID 62984847) is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine is CCNC(c1ccccc1)C(C)N(C)CCCOC.
What is the InChIKey of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine?
The InChIKey is KVGZGLFTKVXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-16(15-10-7-6-8-11-15)14(2)18(3)12-9-13-19-4/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine?
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 62984847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).