4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline

C14H24N2O2 — CID 55141452

IUPAC4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
SMILESCOCCCN(C)CCCOc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2/c1-16(9-3-11-17-2)10-4-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyHLMZVWCLPQCLNT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.01
Rot. Bonds9

About 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline

4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline (PubChem CID 55141452) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline.

Molecular Properties

Compound Name4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
PubChem CID55141452
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
SMILESCOCCCN(C)CCCOc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2/c1-16(9-3-11-17-2)10-4-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyHLMZVWCLPQCLNT-UHFFFAOYSA-N
XLogP2.01
TPSA47.72 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline?
The IUPAC name of 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline (CID 55141452) is 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline.
What is the SMILES notation for 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline?
The canonical SMILES for 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline is COCCCN(C)CCCOc1ccc(N)cc1.
What is the InChIKey of 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline?
The InChIKey is HLMZVWCLPQCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(9-3-11-17-2)10-4-12-18-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline?
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline has a molecular weight of 252.36 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline is sourced from PubChem (CID 55141452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).