2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline

C15H17ClN2 — CID 125466322

IUPAC2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
SMILESCN[C@H](Cc1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-18-15(11-6-8-13(16)9-7-11)10-12-4-2-3-5-14(12)17/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1
InChIKeyGPBDYFRZKNUQBW-OAHLLOKOSA-N
MW260.77 g/mol
LogP3.43
Rot. Bonds4

About 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline

2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline (PubChem CID 125466322) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
PubChem CID125466322
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
SMILESCN[C@H](Cc1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-18-15(11-6-8-13(16)9-7-11)10-12-4-2-3-5-14(12)17/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1
InChIKeyGPBDYFRZKNUQBW-OAHLLOKOSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2S)-2-(methylamino)-2-phenylethyl]aniline
CID 96589066
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849054
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 22414436

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline?
The IUPAC name of 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline (CID 125466322) is 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline?
The canonical SMILES for 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline is CN[C@H](Cc1ccccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline?
The InChIKey is GPBDYFRZKNUQBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-18-15(11-6-8-13(16)9-7-11)10-12-4-2-3-5-14(12)17/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline?
2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline has a molecular weight of 260.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline is sourced from PubChem (CID 125466322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).