1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine

C18H21Cl2N — CID 60819236

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-2-21-17(11-8-14-6-4-3-5-7-14)12-15-9-10-16(19)13-18(15)20/h3-7,9-10,13,17,21H,2,8,11-12H2,1H3
InChIKeyRLEUFYIYXCGZDA-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.15
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine

1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine (PubChem CID 60819236) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
PubChem CID60819236
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-2-21-17(11-8-14-6-4-3-5-7-14)12-15-9-10-16(19)13-18(15)20/h3-7,9-10,13,17,21H,2,8,11-12H2,1H3
InChIKeyRLEUFYIYXCGZDA-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine (CID 60819236) is 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine is CCNC(CCc1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The InChIKey is RLEUFYIYXCGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-2-21-17(11-8-14-6-4-3-5-7-14)12-15-9-10-16(19)13-18(15)20/h3-7,9-10,13,17,21H,2,8,11-12H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine?
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine is sourced from PubChem (CID 60819236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).