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

C18H21Cl2N — CID 63502079

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1Cl)C(CC)c1ccccc1
InChIInChI=1S/C18H21Cl2N/c1-3-15(13-8-6-5-7-9-13)18(21-4-2)16-11-10-14(19)12-17(16)20/h5-12,15,18,21H,3-4H2,1-2H3
InChIKeyVUYIJYORDCGOKJ-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.84
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 63502079) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID63502079
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1Cl)C(CC)c1ccccc1
InChIInChI=1S/C18H21Cl2N/c1-3-15(13-8-6-5-7-9-13)18(21-4-2)16-11-10-14(19)12-17(16)20/h5-12,15,18,21H,3-4H2,1-2H3
InChIKeyVUYIJYORDCGOKJ-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine (CID 63502079) is 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine is CCNC(c1ccc(Cl)cc1Cl)C(CC)c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is VUYIJYORDCGOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-15(13-8-6-5-7-9-13)18(21-4-2)16-11-10-14(19)12-17(16)20/h5-12,15,18,21H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine?
1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.84, 6 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-2-phenylbutan-1-amine is sourced from PubChem (CID 63502079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).