1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol

C15H26N2O — CID 82136110

IUPAC1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
SMILESCCCCN(C)CCC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O/c1-4-5-9-17(3)10-8-15(18)13-7-6-12(2)14(16)11-13/h6-7,11,15,18H,4-5,8-10,16H2,1-3H3
InChIKeyQXQKACNUONFDPG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds7

About 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol

1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol (PubChem CID 82136110) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
PubChem CID82136110
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
SMILESCCCCN(C)CCC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O/c1-4-5-9-17(3)10-8-15(18)13-7-6-12(2)14(16)11-13/h6-7,11,15,18H,4-5,8-10,16H2,1-3H3
InChIKeyQXQKACNUONFDPG-UHFFFAOYSA-N
XLogP2.73
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
3-[butyl(methyl)amino]-1-(4-propylsulfanylphenyl)propan-1-ol
CID 82074310
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
CID 82071565
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
1-[2-(3-amino-4-methylphenyl)ethyl-butylamino]propan-2-ol;hydrochloride
CID 173452548
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol (CID 82136110) is 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol is CCCCN(C)CCC(O)c1ccc(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol?
The InChIKey is QXQKACNUONFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-9-17(3)10-8-15(18)13-7-6-12(2)14(16)11-13/h6-7,11,15,18H,4-5,8-10,16H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol?
1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 82136110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).