N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline

C16H27NO2 — CID 55248017

IUPACN-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
SMILESCCOC(CCN(C)c1ccc(C)cc1C)OCC
InChIInChI=1S/C16H27NO2/c1-6-18-16(19-7-2)10-11-17(5)15-9-8-13(3)12-14(15)4/h8-9,12,16H,6-7,10-11H2,1-5H3
InChIKeyBUYDUNYIZJOOET-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.53
Rot. Bonds8

About N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline

N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline (PubChem CID 55248017) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
PubChem CID55248017
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
SMILESCCOC(CCN(C)c1ccc(C)cc1C)OCC
InChIInChI=1S/C16H27NO2/c1-6-18-16(19-7-2)10-11-17(5)15-9-8-13(3)12-14(15)4/h8-9,12,16H,6-7,10-11H2,1-5H3
InChIKeyBUYDUNYIZJOOET-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
propan-2-yl 2-(N,2,4-trimethylanilino)acetate
CID 60967713
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
N,2,4-trimethyl-N-pent-4-ynylaniline
CID 115872858

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline?
The IUPAC name of N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline (CID 55248017) is N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline?
The canonical SMILES for N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline is CCOC(CCN(C)c1ccc(C)cc1C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline?
The InChIKey is BUYDUNYIZJOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-18-16(19-7-2)10-11-17(5)15-9-8-13(3)12-14(15)4/h8-9,12,16H,6-7,10-11H2,1-5H3.
What are the key properties of N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline?
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline has a molecular weight of 265.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline is sourced from PubChem (CID 55248017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).