1-(2-tert-butylphenyl)-N,N-dimethylmethanamine

C13H21N — CID 21304895

IUPAC1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-7-6-8-11(12)10-14(4)5/h6-9H,10H2,1-5H3
InChIKeyUMBOLLNLWVJQRW-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.05
Rot. Bonds2

About 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine

1-(2-tert-butylphenyl)-N,N-dimethylmethanamine (PubChem CID 21304895) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
PubChem CID21304895
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-7-6-8-11(12)10-14(4)5/h6-9H,10H2,1-5H3
InChIKeyUMBOLLNLWVJQRW-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
CID 117296837
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
1-(2-tert-butylphenyl)-N-iodomethanamine
CID 166969969
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
CID 138974220
CID 138974220
2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetic acid
CID 159229213
CID 175472927
CID 175472927
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine (CID 21304895) is 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine is CN(C)Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine?
The InChIKey is UMBOLLNLWVJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(2,3)12-9-7-6-8-11(12)10-14(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine?
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 21304895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).