4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol

C17H29NO — CID 18958462

IUPAC4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CNC(C)(C)C)cc(C(C)C)c1O
InChIInChI=1S/C17H29NO/c1-11(2)14-8-13(10-18-17(5,6)7)9-15(12(3)4)16(14)19/h8-9,11-12,18-19H,10H2,1-7H3
InChIKeyTXPWQQIGFXWCMF-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.53
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol

4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol (PubChem CID 18958462) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol
PubChem CID18958462
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CNC(C)(C)C)cc(C(C)C)c1O
InChIInChI=1S/C17H29NO/c1-11(2)14-8-13(10-18-17(5,6)7)9-15(12(3)4)16(14)19/h8-9,11-12,18-19H,10H2,1-7H3
InChIKeyTXPWQQIGFXWCMF-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
4-[[2-(dimethylamino)ethylamino]methyl]-2,6-di(propan-2-yl)phenol;hydrochloride
CID 139786037
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol
CID 141231732
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
CID 175952399
CID 175952399
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63551898
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 63501583
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
CID 14401625

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol (CID 18958462) is 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(CNC(C)(C)C)cc(C(C)C)c1O.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is TXPWQQIGFXWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)14-8-13(10-18-17(5,6)7)9-15(12(3)4)16(14)19/h8-9,11-12,18-19H,10H2,1-7H3.
What are the key properties of 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol?
4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 263.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 18958462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).