4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline

C13H22N2O2 — CID 117349624

IUPAC4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
SMILESCOc1cc(N(C)C)c(OC)cc1C(C)CN
InChIInChI=1S/C13H22N2O2/c1-9(8-14)10-6-13(17-5)11(15(2)3)7-12(10)16-4/h6-7,9H,8,14H2,1-5H3
InChIKeyXVLSVWQWGZBICG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds5

About 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline

4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline (PubChem CID 117349624) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
PubChem CID117349624
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
SMILESCOc1cc(N(C)C)c(OC)cc1C(C)CN
InChIInChI=1S/C13H22N2O2/c1-9(8-14)10-6-13(17-5)11(15(2)3)7-12(10)16-4/h6-7,9H,8,14H2,1-5H3
InChIKeyXVLSVWQWGZBICG-UHFFFAOYSA-N
XLogP1.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
CID 117351358
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
CID 117339337
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline (CID 117349624) is 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline is COc1cc(N(C)C)c(OC)cc1C(C)CN.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline?
The InChIKey is XVLSVWQWGZBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(8-14)10-6-13(17-5)11(15(2)3)7-12(10)16-4/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline?
4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline has a molecular weight of 238.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline is sourced from PubChem (CID 117349624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).