1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C14H24N2O2 — CID 103409400

IUPAC1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOCCOCCCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)14-7-5-13(6-8-14)15-9-4-10-18-12-11-17-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyFHJQMKVBJDGAQQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds9

About 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 103409400) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID103409400
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOCCOCCCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)14-7-5-13(6-8-14)15-9-4-10-18-12-11-17-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyFHJQMKVBJDGAQQ-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
CID 103178991
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
aniline;3-(2-methoxyethoxy)propan-1-amine;4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 154679408
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 103409400) is 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine is COCCOCCCNc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is FHJQMKVBJDGAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2)14-7-5-13(6-8-14)15-9-4-10-18-12-11-17-3/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-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-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 103409400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).