N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine

C19H24ClN — CID 43693281

IUPACN-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(NC(c1ccccc1)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-14(15-10-12-17(20)13-11-15)21-18(19(2,3)4)16-8-6-5-7-9-16/h5-14,18,21H,1-4H3
InChIKeyYYLBGLIRKMNOTA-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.78
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine

N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 43693281) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID43693281
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(NC(c1ccccc1)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-14(15-10-12-17(20)13-11-15)21-18(19(2,3)4)16-8-6-5-7-9-16/h5-14,18,21H,1-4H3
InChIKeyYYLBGLIRKMNOTA-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
2,2-dimethyl-1-phenyl-N-propan-2-ylpropan-1-amine
CID 15739872
1,2-bis[1-(4-chlorophenyl)-2,2-dimethylpropyl]hydrazine
CID 13095453
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
CID 81348788
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693312
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine (CID 43693281) is N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine is CC(NC(c1ccccc1)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is YYLBGLIRKMNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-14(15-10-12-17(20)13-11-15)21-18(19(2,3)4)16-8-6-5-7-9-16/h5-14,18,21H,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43693281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).