1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol

C15H25NO — CID 114066804

IUPAC1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)CCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(17)13-6-8-14(9-7-13)16(4)11-10-12(2)3/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyIMXGPOVDWBLSNR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol

1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol (PubChem CID 114066804) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
PubChem CID114066804
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)CCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(17)13-6-8-14(9-7-13)16(4)11-10-12(2)3/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyIMXGPOVDWBLSNR-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
3-[bis(2-methylpropyl)amino]-1-(4-butan-2-ylphenyl)propan-1-ol
CID 110830722

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol (CID 114066804) is 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol is CCC(O)c1ccc(N(C)CCC(C)C)cc1.
What is the InChIKey of 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol?
The InChIKey is IMXGPOVDWBLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(17)13-6-8-14(9-7-13)16(4)11-10-12(2)3/h6-9,12,15,17H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol?
1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).