4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline

C15H26N2O — CID 55236420

IUPAC4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
SMILESCOCC(C)N(C)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-11-8-14(9-12(2)16)6-7-15(11)17(4)13(3)10-18-5/h6-8,12-13H,9-10,16H2,1-5H3
InChIKeyWRCSRYHLGKJGPL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds6

About 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline

4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline (PubChem CID 55236420) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
PubChem CID55236420
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
SMILESCOCC(C)N(C)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-11-8-14(9-12(2)16)6-7-15(11)17(4)13(3)10-18-5/h6-8,12-13H,9-10,16H2,1-5H3
InChIKeyWRCSRYHLGKJGPL-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline (CID 55236420) is 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline is COCC(C)N(C)c1ccc(CC(C)N)cc1C.
What is the InChIKey of 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The InChIKey is WRCSRYHLGKJGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-8-14(9-12(2)16)6-7-15(11)17(4)13(3)10-18-5/h6-8,12-13H,9-10,16H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline is sourced from PubChem (CID 55236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).