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

C17H29NO — CID 82986448

IUPAC4-[1-[butan-2-yl(butyl)amino]propyl]phenol
SMILESCCCCN(C(C)CC)C(CC)c1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-5-8-13-18(14(4)6-2)17(7-3)15-9-11-16(19)12-10-15/h9-12,14,17,19H,5-8,13H2,1-4H3
InChIKeyWIEDUYIQQATXLV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.74
Rot. Bonds8

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

4-[1-[butan-2-yl(butyl)amino]propyl]phenol (PubChem CID 82986448) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[1-[butan-2-yl(butyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[butan-2-yl(butyl)amino]propyl]phenol
PubChem CID82986448
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[1-[butan-2-yl(butyl)amino]propyl]phenol
SMILESCCCCN(C(C)CC)C(CC)c1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-5-8-13-18(14(4)6-2)17(7-3)15-9-11-16(19)12-10-15/h9-12,14,17,19H,5-8,13H2,1-4H3
InChIKeyWIEDUYIQQATXLV-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.74
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
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-hexan-2-ylphenol
CID 12579179
1-(3-bromo-4-fluorophenyl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 63465037
2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
CID 107520436
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777
4-(2-methylheptan-3-yl)phenol
CID 174396505

Frequently Asked Questions

What is the IUPAC name of 4-[1-[butan-2-yl(butyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[butan-2-yl(butyl)amino]propyl]phenol (CID 82986448) is 4-[1-[butan-2-yl(butyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[butan-2-yl(butyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[butan-2-yl(butyl)amino]propyl]phenol is CCCCN(C(C)CC)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[butan-2-yl(butyl)amino]propyl]phenol?
The InChIKey is WIEDUYIQQATXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-8-13-18(14(4)6-2)17(7-3)15-9-11-16(19)12-10-15/h9-12,14,17,19H,5-8,13H2,1-4H3.
What are the key properties of 4-[1-[butan-2-yl(butyl)amino]propyl]phenol?
4-[1-[butan-2-yl(butyl)amino]propyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.74, 8 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(butyl)amino]propyl]phenol is sourced from PubChem (CID 82986448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).