2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline

C12H19ClN2 — CID 114860357

IUPAC2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C12H19ClN2/c1-9(2)15(3)12-5-4-11(13)8-10(12)6-7-14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyICMCKFPCBWFXJG-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline

2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline (PubChem CID 114860357) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
PubChem CID114860357
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C12H19ClN2/c1-9(2)15(3)12-5-4-11(13)8-10(12)6-7-14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyICMCKFPCBWFXJG-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

4-chloro-2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 114846318
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
CID 114860599
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline (CID 114860357) is 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline is CC(C)N(C)c1ccc(Cl)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline?
The InChIKey is ICMCKFPCBWFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(2)15(3)12-5-4-11(13)8-10(12)6-7-14/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline?
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline has a molecular weight of 226.75 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 114860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).