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

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Related Compounds

4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 63816309
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 80635092
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
CID 63795379
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888

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).