4-[1-[bis(2-methylpropyl)amino]propyl]phenol

C17H29NO — CID 82981957

IUPAC4-[1-[bis(2-methylpropyl)amino]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N(CC(C)C)CC(C)C
InChIInChI=1S/C17H29NO/c1-6-17(15-7-9-16(19)10-8-15)18(11-13(2)3)12-14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyTYEYSASRYCXRTM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.46
Rot. Bonds7

About 4-[1-[bis(2-methylpropyl)amino]propyl]phenol

4-[1-[bis(2-methylpropyl)amino]propyl]phenol (PubChem CID 82981957) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[1-[bis(2-methylpropyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[bis(2-methylpropyl)amino]propyl]phenol
PubChem CID82981957
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[1-[bis(2-methylpropyl)amino]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N(CC(C)C)CC(C)C
InChIInChI=1S/C17H29NO/c1-6-17(15-7-9-16(19)10-8-15)18(11-13(2)3)12-14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyTYEYSASRYCXRTM-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.46
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-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
4-[1-[butan-2-yl(butyl)amino]propyl]phenol
CID 82986448
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
4-[1-(diethylamino)propan-2-yl]phenol
CID 115025478
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
CID 82982431
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
4-[1-(2-methylpropoxyamino)propyl]phenol
CID 82710260
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428

Frequently Asked Questions

What is the IUPAC name of 4-[1-[bis(2-methylpropyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[bis(2-methylpropyl)amino]propyl]phenol (CID 82981957) is 4-[1-[bis(2-methylpropyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[bis(2-methylpropyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[bis(2-methylpropyl)amino]propyl]phenol is CCC(c1ccc(O)cc1)N(CC(C)C)CC(C)C.
What is the InChIKey of 4-[1-[bis(2-methylpropyl)amino]propyl]phenol?
The InChIKey is TYEYSASRYCXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(15-7-9-16(19)10-8-15)18(11-13(2)3)12-14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 4-[1-[bis(2-methylpropyl)amino]propyl]phenol?
4-[1-[bis(2-methylpropyl)amino]propyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[bis(2-methylpropyl)amino]propyl]phenol is sourced from PubChem (CID 82981957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).