4-[1-[butan-2-yl(methyl)amino]propyl]phenol

C14H23NO — CID 82977219

IUPAC4-[1-[butan-2-yl(methyl)amino]propyl]phenol
SMILESCCC(C)N(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)15(4)14(6-2)12-7-9-13(16)10-8-12/h7-11,14,16H,5-6H2,1-4H3
InChIKeyXZIMXRGRTHLAEY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.57
Rot. Bonds5

About 4-[1-[butan-2-yl(methyl)amino]propyl]phenol

4-[1-[butan-2-yl(methyl)amino]propyl]phenol (PubChem CID 82977219) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[1-[butan-2-yl(methyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[butan-2-yl(methyl)amino]propyl]phenol
PubChem CID82977219
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[1-[butan-2-yl(methyl)amino]propyl]phenol
SMILESCCC(C)N(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)15(4)14(6-2)12-7-9-13(16)10-8-12/h7-11,14,16H,5-6H2,1-4H3
InChIKeyXZIMXRGRTHLAEY-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
4-[1-[butan-2-yl(butyl)amino]propyl]phenol
CID 82986448
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-(2,2-dimethylhydrazinyl)propyl]phenol
CID 83005849
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
CID 105448262
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525
4-(4-methylhexan-3-yl)phenol
CID 123259382

Frequently Asked Questions

What is the IUPAC name of 4-[1-[butan-2-yl(methyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[butan-2-yl(methyl)amino]propyl]phenol (CID 82977219) is 4-[1-[butan-2-yl(methyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[butan-2-yl(methyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[butan-2-yl(methyl)amino]propyl]phenol is CCC(C)N(C)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[butan-2-yl(methyl)amino]propyl]phenol?
The InChIKey is XZIMXRGRTHLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)15(4)14(6-2)12-7-9-13(16)10-8-12/h7-11,14,16H,5-6H2,1-4H3.
What are the key properties of 4-[1-[butan-2-yl(methyl)amino]propyl]phenol?
4-[1-[butan-2-yl(methyl)amino]propyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[butan-2-yl(methyl)amino]propyl]phenol is sourced from PubChem (CID 82977219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).