2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine

C11H16ClN — CID 90158415

IUPAC2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(Cl)CN(C)C
InChIInChI=1S/C11H16ClN/c1-9-6-4-5-7-10(9)11(12)8-13(2)3/h4-7,11H,8H2,1-3H3
InChIKeyNXRXIOOFSMVWNC-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine

2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine (PubChem CID 90158415) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine
PubChem CID90158415
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(Cl)CN(C)C
InChIInChI=1S/C11H16ClN/c1-9-6-4-5-7-10(9)11(12)8-13(2)3/h4-7,11H,8H2,1-3H3
InChIKeyNXRXIOOFSMVWNC-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
CID 56690078
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
2-hydrazinyl-N,N-dimethyl-2-(2-methylphenyl)ethanamine
CID 105244597
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
CID 12549089
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
5-chloro-5-(2-methylphenyl)pentan-2-one
CID 82126784
1-(1-chloro-2-methylpropyl)-2-methylbenzene
CID 67877325
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538
2,2,4-trichloro-4-(2-methylphenyl)-1-phenylbutan-1-one
CID 122398101
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
4-[1-chloro-2-(dimethylamino)ethyl]-N,N-dimethylaniline
CID 82215480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine (CID 90158415) is 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(Cl)CN(C)C.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is NXRXIOOFSMVWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-9-6-4-5-7-10(9)11(12)8-13(2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine?
2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 197.71 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 90158415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).