2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline

C16H27ClN2 — CID 114847920

IUPAC2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(Cl)cc1CNC(C)(C)C)C(C)C
InChIInChI=1S/C16H27ClN2/c1-7-19(12(2)3)15-9-8-14(17)10-13(15)11-18-16(4,5)6/h8-10,12,18H,7,11H2,1-6H3
InChIKeyJLGIUTPMWCPPCN-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.46
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline

2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline (PubChem CID 114847920) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
PubChem CID114847920
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(Cl)cc1CNC(C)(C)C)C(C)C
InChIInChI=1S/C16H27ClN2/c1-7-19(12(2)3)15-9-8-14(17)10-13(15)11-18-16(4,5)6/h8-10,12,18H,7,11H2,1-6H3
InChIKeyJLGIUTPMWCPPCN-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(tert-butylamino)methyl]-4-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849963
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114850191
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
2-[(tert-butylamino)methyl]-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
CID 114853812
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114849790
2-(bromomethyl)-5-chloro-N-ethyl-N-propan-2-ylaniline
CID 107079890
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
CID 63550583
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline (CID 114847920) is 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline is CCN(c1ccc(Cl)cc1CNC(C)(C)C)C(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline?
The InChIKey is JLGIUTPMWCPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-7-19(12(2)3)15-9-8-14(17)10-13(15)11-18-16(4,5)6/h8-10,12,18H,7,11H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline?
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline has a molecular weight of 282.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 114847920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).