1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C14H24N2O2 — CID 103179316

IUPAC1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOCCCOCCNc1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-16(2)14-7-4-6-13(12-14)15-8-11-18-10-5-9-17-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyKSEMDKMOISRCTP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds9

About 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 103179316) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID103179316
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOCCCOCCNc1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-16(2)14-7-4-6-13(12-14)15-8-11-18-10-5-9-17-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyKSEMDKMOISRCTP-UHFFFAOYSA-N
XLogP2.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.22
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

3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 115377786
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
CID 103178330
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
CID 103178991
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400
3-N,3-N-dimethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,3-diamine
CID 113326394
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 103179316) is 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is COCCCOCCNc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is KSEMDKMOISRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2)14-7-4-6-13(12-14)15-8-11-18-10-5-9-17-3/h4,6-7,12,15H,5,8-11H2,1-3H3.
What are the key properties of 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 103179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).