N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine

C17H30N2O2 — CID 62628932

IUPACN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCOCCCN(CCOC)CCC(N)c1ccccc1C
InChIInChI=1S/C17H30N2O2/c1-15-7-4-5-8-16(15)17(18)9-11-19(12-14-21-3)10-6-13-20-2/h4-5,7-8,17H,6,9-14,18H2,1-3H3
InChIKeyITMWNIGNHCNRCL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.37
Rot. Bonds11

About N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62628932) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID62628932
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCOCCCN(CCOC)CCC(N)c1ccccc1C
InChIInChI=1S/C17H30N2O2/c1-15-7-4-5-8-16(15)17(18)9-11-19(12-14-21-3)10-6-13-20-2/h4-5,7-8,17H,6,9-14,18H2,1-3H3
InChIKeyITMWNIGNHCNRCL-UHFFFAOYSA-N
XLogP2.37
TPSA47.72 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
1-(1-bromo-5-methoxypentan-2-yl)-2-methylbenzene
CID 79418534
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630979
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(1-bromo-6-methoxyhexan-2-yl)-2-methylbenzene
CID 104650718
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine (CID 62628932) is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine is COCCCN(CCOC)CCC(N)c1ccccc1C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ITMWNIGNHCNRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-15-7-4-5-8-16(15)17(18)9-11-19(12-14-21-3)10-6-13-20-2/h4-5,7-8,17H,6,9-14,18H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62628932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).