4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline

C12H19ClN2 — CID 3057519

IUPAC4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(C)(C)N)c(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-12(2,14)8-9-5-6-10(15(3)4)7-11(9)13/h5-7H,8,14H2,1-4H3
InChIKeyPCRVJYBBMMROET-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.69
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline

4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline (PubChem CID 3057519) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline
PubChem CID3057519
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(C)(C)N)c(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-12(2,14)8-9-5-6-10(15(3)4)7-11(9)13/h5-7H,8,14H2,1-4H3
InChIKeyPCRVJYBBMMROET-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline?
The IUPAC name of 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline (CID 3057519) is 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline is CN(C)c1ccc(CC(C)(C)N)c(Cl)c1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline?
The InChIKey is PCRVJYBBMMROET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-12(2,14)8-9-5-6-10(15(3)4)7-11(9)13/h5-7H,8,14H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline?
4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline has a molecular weight of 226.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 3057519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).