2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline

C18H24N2 — CID 63060146

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H24N2/c1-18(2,3)19-14-15-10-8-9-13-17(15)20(4)16-11-6-5-7-12-16/h5-13,19H,14H2,1-4H3
InChIKeyHIIPPUFECVNVGT-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.34
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline

2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline (PubChem CID 63060146) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
PubChem CID63060146
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H24N2/c1-18(2,3)19-14-15-10-8-9-13-17(15)20(4)16-11-6-5-7-12-16/h5-13,19H,14H2,1-4H3
InChIKeyHIIPPUFECVNVGT-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057039
2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 63551947
2-(2-aminoethyl)-N-methyl-N-phenylaniline
CID 63784561
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63071477
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methyl-2-[[2-(N-methylanilino)phenyl]methylamino]propanamide
CID 89295985
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline (CID 63060146) is 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline?
The InChIKey is HIIPPUFECVNVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)19-14-15-10-8-9-13-17(15)20(4)16-11-6-5-7-12-16/h5-13,19H,14H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline?
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 63060146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).