4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline

C15H26N2O — CID 114524620

IUPAC4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
SMILESCc1cc(OCCCN(C)C)c(C(C)C)cc1N
InChIInChI=1S/C15H26N2O/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-7-17(4)5/h9-11H,6-8,16H2,1-5H3
InChIKeyMBKMFNFXUYYOMF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.03
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline

4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline (PubChem CID 114524620) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
PubChem CID114524620
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
SMILESCc1cc(OCCCN(C)C)c(C(C)C)cc1N
InChIInChI=1S/C15H26N2O/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-7-17(4)5/h9-11H,6-8,16H2,1-5H3
InChIKeyMBKMFNFXUYYOMF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-N-methylacetamide
CID 65216731
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] 4-iodobutanoate
CID 69365611
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
CID 65217353
2-[(4-amino-5-methyl-2-propan-2-ylphenoxy)methyl]benzonitrile
CID 65217468

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline (CID 114524620) is 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline is Cc1cc(OCCCN(C)C)c(C(C)C)cc1N.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline?
The InChIKey is MBKMFNFXUYYOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-7-17(4)5/h9-11H,6-8,16H2,1-5H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline?
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline is sourced from PubChem (CID 114524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).