(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal

C18H19Cl2NO — CID 173354069

IUPAC(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal
SMILESO=C[C@@H](CCCc1ccccc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c19-17-10-9-15(11-18(17)20)12-21-16(13-22)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,16,21H,4,7-8,12H2/t16-/m1/s1
InChIKeyRYTQWYLGYYJCTA-MRXNPFEDSA-N
MW336.26 g/mol
LogP4.67
Rot. Bonds8

About (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal

(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal (PubChem CID 173354069) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal
PubChem CID173354069
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal
SMILESO=C[C@@H](CCCc1ccccc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c19-17-10-9-15(11-18(17)20)12-21-16(13-22)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,16,21H,4,7-8,12H2/t16-/m1/s1
InChIKeyRYTQWYLGYYJCTA-MRXNPFEDSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3,4-dichlorophenyl)acetamide
CID 10762119
N-[1-(3,4-Dichloro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11143323
4-(3,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)butanamide
CID 156009848
Dodecanamide, N-(3,4-dichlorobenzyl)-
CID 59306
N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-3-ethylpentanamide
CID 53383999
N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 70693134
Cyclohexanone, 2-(p-chlorobenzylamino)-2-phenyl-, hydrochloride
CID 3024648
Cyclohexanone, 2-benzylamino-2-(p-chlorophenyl)-, hydrochloride
CID 3024650
N-(1-(3,4-dichlorobenzyl)pyrrolidin-3-yl)-3-phenylpropanamide
CID 11268912
4-[[1-(3,4-Dichlorophenyl)ethylamino]methyl]benzamide
CID 43232702
N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162660355
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutanamide
CID 172461911

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal?
The IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal (CID 173354069) is (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal is O=C[C@@H](CCCc1ccccc1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal?
The InChIKey is RYTQWYLGYYJCTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c19-17-10-9-15(11-18(17)20)12-21-16(13-22)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,16,21H,4,7-8,12H2/t16-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal?
(2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal has a molecular weight of 336.26 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dichlorophenyl)methylamino]-5-phenylpentanal is sourced from PubChem (CID 173354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).