N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine

C16H28N2O — CID 54935460

IUPACN,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)16(14-17-12-9-13-19-3)15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3
InChIKeyICBSCRMHGTWZNQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds10

About N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine

N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine (PubChem CID 54935460) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
PubChem CID54935460
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)16(14-17-12-9-13-19-3)15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3
InChIKeyICBSCRMHGTWZNQ-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
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

3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine (CID 54935460) is N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine is CCN(CC)C(CNCCCOC)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine?
The InChIKey is ICBSCRMHGTWZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18(5-2)16(14-17-12-9-13-19-3)15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3.
What are the key properties of N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 54935460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).