1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen

C13H23N — CID 176703161

IUPAC1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
SMILESCNCc1ccc(C(C)(C)C)cc1C.[H][H]
InChIInChI=1S/C13H21N.H2/c1-10-8-12(13(2,3)4)7-6-11(10)9-14-5;/h6-8,14H,9H2,1-5H3;1H
InChIKeyPRPHEWBGUSWQFC-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen

1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen (PubChem CID 176703161) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
PubChem CID176703161
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
SMILESCNCc1ccc(C(C)(C)C)cc1C.[H][H]
InChIInChI=1S/C13H21N.H2/c1-10-8-12(13(2,3)4)7-6-11(10)9-14-5;/h6-8,14H,9H2,1-5H3;1H
InChIKeyPRPHEWBGUSWQFC-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
3-methyl-4-(methylaminomethyl)aniline
CID 45078678
N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227379
3-methyl-4-(methylaminomethyl)benzoic acid
CID 117219353
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
2-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931857
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
2-[[(4-tert-butyl-2-methylphenyl)methylamino]methyl]butanenitrile
CID 115253828

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen (CID 176703161) is 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen is CNCc1ccc(C(C)(C)C)cc1C.[H][H].
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The InChIKey is PRPHEWBGUSWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.H2/c1-10-8-12(13(2,3)4)7-6-11(10)9-14-5;/h6-8,14H,9H2,1-5H3;1H.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen?
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen has a molecular weight of 193.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen is sourced from PubChem (CID 176703161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).