4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol

C16H27NO — CID 66090620

IUPAC4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(9-10-18)11-17-12-14-5-7-15(8-6-14)16(2,3)4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyMXIPLBBCOYFPSG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.09
Rot. Bonds6

About 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol

4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 66090620) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
PubChem CID66090620
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(9-10-18)11-17-12-14-5-7-15(8-6-14)16(2,3)4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyMXIPLBBCOYFPSG-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
3-methyl-4-[(4-nitrophenyl)methylamino]butan-1-ol
CID 66092473
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
4-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81002997
N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
CID 44668483
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol (CID 66090620) is 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol is CC(CCO)CNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is MXIPLBBCOYFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(9-10-18)11-17-12-14-5-7-15(8-6-14)16(2,3)4/h5-8,13,17-18H,9-12H2,1-4H3.
What are the key properties of 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol?
4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66090620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).