2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline

C15H25ClN2 — CID 114068118

IUPAC2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C15H25ClN2/c1-11(2)18(6)14-12(8-7-9-13(14)16)10-17-15(3,4)5/h7-9,11,17H,10H2,1-6H3
InChIKeyIUXWWYGPFUSSBN-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.07
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline

2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline (PubChem CID 114068118) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
PubChem CID114068118
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C15H25ClN2/c1-11(2)18(6)14-12(8-7-9-13(14)16)10-17-15(3,4)5/h7-9,11,17H,10H2,1-6H3
InChIKeyIUXWWYGPFUSSBN-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
2-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]butanenitrile
CID 112610459
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63071477
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426149
2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 114069962
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
2-[(tert-butylamino)methyl]-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986284
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057039

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline (CID 114068118) is 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline is CC(C)N(C)c1c(Cl)cccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline?
The InChIKey is IUXWWYGPFUSSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-11(2)18(6)14-12(8-7-9-13(14)16)10-17-15(3,4)5/h7-9,11,17H,10H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline?
2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline has a molecular weight of 268.83 g/mol, XLogP of 4.07, 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]-6-chloro-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 114068118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).