1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine

C18H22ClN — CID 63417051

IUPAC1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-2-20-17(13-12-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3
InChIKeySGPLTHPROADQAN-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.49
Rot. Bonds7

About 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine

1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine (PubChem CID 63417051) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
PubChem CID63417051
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-2-20-17(13-12-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3
InChIKeySGPLTHPROADQAN-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine (CID 63417051) is 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine is CCNC(CCc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The InChIKey is SGPLTHPROADQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-2-20-17(13-12-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine is sourced from PubChem (CID 63417051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).