N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

C17H30N2O — CID 82953260

IUPACN-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CCOC)C(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-18-17(16-9-7-6-8-10-16)11-12-19(15(2)3)13-14-20-4/h6-10,15,17-18H,5,11-14H2,1-4H3
InChIKeyFSTWVBKVTSODCS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.08
Rot. Bonds10

About N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 82953260) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID82953260
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CCOC)C(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-18-17(16-9-7-6-8-10-16)11-12-19(15(2)3)13-14-20-4/h6-10,15,17-18H,5,11-14H2,1-4H3
InChIKeyFSTWVBKVTSODCS-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
CID 63493603
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (CID 82953260) is N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is CCNC(CCN(CCOC)C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is FSTWVBKVTSODCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-17(16-9-7-6-8-10-16)11-12-19(15(2)3)13-14-20-4/h6-10,15,17-18H,5,11-14H2,1-4H3.
What are the key properties of N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 82953260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).