2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline

C18H30N2O — CID 63059546

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-13-15-9-5-6-11-17(15)20(4)14-16-10-7-8-12-21-16/h5-6,9,11,16,19H,7-8,10,12-14H2,1-4H3
InChIKeyMUNBVORWEVXTTG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline

2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 63059546) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID63059546
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-13-15-9-5-6-11-17(15)20(4)14-16-10-7-8-12-21-16/h5-6,9,11,16,19H,7-8,10,12-14H2,1-4H3
InChIKeyMUNBVORWEVXTTG-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 63551947
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 63059546) is 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline is CN(CC1CCCCO1)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is MUNBVORWEVXTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)19-13-15-9-5-6-11-17(15)20(4)14-16-10-7-8-12-21-16/h5-6,9,11,16,19H,7-8,10,12-14H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 63059546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).