2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol

C17H29NO — CID 106023126

IUPAC2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
SMILESCCCCC(CCC)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-7-9-16(8-6-2)18-12-15-10-13(3)17(19)14(4)11-15/h10-11,16,18-19H,5-9,12H2,1-4H3
InChIKeyLFVQUPCWOOEQJW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.46
Rot. Bonds8

About 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol

2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol (PubChem CID 106023126) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
PubChem CID106023126
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
SMILESCCCCC(CCC)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-7-9-16(8-6-2)18-12-15-10-13(3)17(19)14(4)11-15/h10-11,16,18-19H,5-9,12H2,1-4H3
InChIKeyLFVQUPCWOOEQJW-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol (CID 106023126) is 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol is CCCCC(CCC)NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol?
The InChIKey is LFVQUPCWOOEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-9-16(8-6-2)18-12-15-10-13(3)17(19)14(4)11-15/h10-11,16,18-19H,5-9,12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol?
2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol is sourced from PubChem (CID 106023126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).