4-[1-[methyl(pentan-3-yl)amino]propyl]phenol

C15H25NO — CID 82977173

IUPAC4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
SMILESCCC(CC)N(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-5-13(6-2)16(4)15(7-3)12-8-10-14(17)11-9-12/h8-11,13,15,17H,5-7H2,1-4H3
InChIKeyGMTFBCZXSDAYPH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.96
Rot. Bonds6

About 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol

4-[1-[methyl(pentan-3-yl)amino]propyl]phenol (PubChem CID 82977173) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
PubChem CID82977173
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
SMILESCCC(CC)N(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-5-13(6-2)16(4)15(7-3)12-8-10-14(17)11-9-12/h8-11,13,15,17H,5-7H2,1-4H3
InChIKeyGMTFBCZXSDAYPH-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
4-[1-(2,2-dimethylhydrazinyl)propyl]phenol
CID 83005849
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
4-[1-[butan-2-yl(butyl)amino]propyl]phenol
CID 82986448
4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
CID 105448262
4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
CID 82981409
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol?
The IUPAC name of 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol (CID 82977173) is 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol is CCC(CC)N(C)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol?
The InChIKey is GMTFBCZXSDAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(6-2)16(4)15(7-3)12-8-10-14(17)11-9-12/h8-11,13,15,17H,5-7H2,1-4H3.
What are the key properties of 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol?
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(pentan-3-yl)amino]propyl]phenol is sourced from PubChem (CID 82977173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).