4-[3-(dimethylamino)propoxy]-2-propoxyaniline

C14H24N2O2 — CID 63678219

IUPAC4-[3-(dimethylamino)propoxy]-2-propoxyaniline
SMILESCCCOc1cc(OCCCN(C)C)ccc1N
InChIInChI=1S/C14H24N2O2/c1-4-9-18-14-11-12(6-7-13(14)15)17-10-5-8-16(2)3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyNCIHXMVATCEATN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds8

About 4-[3-(dimethylamino)propoxy]-2-propoxyaniline

4-[3-(dimethylamino)propoxy]-2-propoxyaniline (PubChem CID 63678219) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-2-propoxyaniline.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-2-propoxyaniline
PubChem CID63678219
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[3-(dimethylamino)propoxy]-2-propoxyaniline
SMILESCCCOc1cc(OCCCN(C)C)ccc1N
InChIInChI=1S/C14H24N2O2/c1-4-9-18-14-11-12(6-7-13(14)15)17-10-5-8-16(2)3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyNCIHXMVATCEATN-UHFFFAOYSA-N
XLogP2.39
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-octoxy-2-propoxyaniline
CID 63676334
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-ethoxy-4-propoxyaniline
CID 63677806
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-ethoxy-4-pentoxyaniline
CID 63678215
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-2-propoxyaniline?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-2-propoxyaniline (CID 63678219) is 4-[3-(dimethylamino)propoxy]-2-propoxyaniline.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-2-propoxyaniline?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-2-propoxyaniline is CCCOc1cc(OCCCN(C)C)ccc1N.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-2-propoxyaniline?
The InChIKey is NCIHXMVATCEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-9-18-14-11-12(6-7-13(14)15)17-10-5-8-16(2)3/h6-7,11H,4-5,8-10,15H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]-2-propoxyaniline?
4-[3-(dimethylamino)propoxy]-2-propoxyaniline has a molecular weight of 252.36 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-2-propoxyaniline is sourced from PubChem (CID 63678219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).