1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine

C18H22ClN — CID 105059436

IUPAC1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
SMILESCc1cccc(C)c1CNC(C)(CCl)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14-8-7-9-15(2)17(14)12-20-18(3,13-19)16-10-5-4-6-11-16/h4-11,20H,12-13H2,1-3H3
InChIKeyGMSYUVPDYSZYCY-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.55
Rot. Bonds5

About 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine

1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine (PubChem CID 105059436) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
PubChem CID105059436
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
SMILESCc1cccc(C)c1CNC(C)(CCl)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14-8-7-9-15(2)17(14)12-20-18(3,13-19)16-10-5-4-6-11-16/h4-11,20H,12-13H2,1-3H3
InChIKeyGMSYUVPDYSZYCY-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
CID 105059415
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
CID 105059408
1-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylpropan-2-amine
CID 105059500
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-chloro-2-phenylpropan-2-amine
CID 105059423
4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 106139903
N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
1,1,1,2-tetrachloroethane;1,2-xylene
CID 70567653
N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687350
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine (CID 105059436) is 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine is Cc1cccc(C)c1CNC(C)(CCl)c1ccccc1.
What is the InChIKey of 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine?
The InChIKey is GMSYUVPDYSZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14-8-7-9-15(2)17(14)12-20-18(3,13-19)16-10-5-4-6-11-16/h4-11,20H,12-13H2,1-3H3.
What are the key properties of 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine?
1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 105059436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).