2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C18H22ClN — CID 65026294

IUPAC2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C18H22ClN/c1-14(2)16-10-8-15(9-11-16)12-20-13-18(19)17-6-4-3-5-7-17/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyCADBEIXLBRHDGC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.88
Rot. Bonds6

About 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 65026294) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID65026294
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C18H22ClN/c1-14(2)16-10-8-15(9-11-16)12-20-13-18(19)17-6-4-3-5-7-17/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyCADBEIXLBRHDGC-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.88
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

2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 65026851
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 65026294) is 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCC(Cl)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is CADBEIXLBRHDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14(2)16-10-8-15(9-11-16)12-20-13-18(19)17-6-4-3-5-7-17/h3-11,14,18,20H,12-13H2,1-2H3.
What are the key properties of 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 65026294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).