N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

C17H30N2O2 — CID 62618960

IUPACN',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(CCOC)CCOC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O2/c1-15-5-7-16(8-6-15)17(18-2)9-10-19(11-13-20-3)12-14-21-4/h5-8,17-18H,9-14H2,1-4H3
InChIKeyFOGCMFAMLFRDEH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.24
Rot. Bonds11

About N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62618960) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62618960
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(CCOC)CCOC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O2/c1-15-5-7-16(8-6-15)17(18-2)9-10-19(11-13-20-3)12-14-21-4/h5-8,17-18H,9-14H2,1-4H3
InChIKeyFOGCMFAMLFRDEH-UHFFFAOYSA-N
XLogP2.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (CID 62618960) is N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine is CNC(CCN(CCOC)CCOC)c1ccc(C)cc1.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is FOGCMFAMLFRDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-15-5-7-16(8-6-15)17(18-2)9-10-19(11-13-20-3)12-14-21-4/h5-8,17-18H,9-14H2,1-4H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62618960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).