1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine

C19H24ClN — CID 63415187

IUPAC1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyIVSSDGOCIOUSBD-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.72
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine

1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine (PubChem CID 63415187) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
PubChem CID63415187
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyIVSSDGOCIOUSBD-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 103039913
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine (CID 63415187) is 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine is CCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The InChIKey is IVSSDGOCIOUSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63415187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).