(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde

C23H23NO — CID 101191724

IUPAC(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](C=O)c1ccccc1
InChIInChI=1S/C23H23NO/c1-19(21-13-7-3-8-14-21)24(17-20-11-5-2-6-12-20)23(18-25)22-15-9-4-10-16-22/h2-16,18-19,23H,17H2,1H3/t19-,23+/m1/s1
InChIKeyBWQWDKYJKMAGON-XXBNENTESA-N
MW329.44 g/mol
LogP5.19
Rot. Bonds7

About (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde

(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde (PubChem CID 101191724) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde
PubChem CID101191724
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](C=O)c1ccccc1
InChIInChI=1S/C23H23NO/c1-19(21-13-7-3-8-14-21)24(17-20-11-5-2-6-12-20)23(18-25)22-15-9-4-10-16-22/h2-16,18-19,23H,17H2,1H3/t19-,23+/m1/s1
InChIKeyBWQWDKYJKMAGON-XXBNENTESA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721
(E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-en-1-ol
CID 10364549
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
2-[(1R)-1-[benzyl-[(1S)-1-phenylethyl]amino]-3-phenylprop-2-enyl]phenol
CID 91271714
(E,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-hydroxyhex-4-enoic acid
CID 72949507
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
methyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-oxo-3-phenylpropanoate
CID 11740922
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
CID 11559802
methyl (2S,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-hydroxy-3-phenylpropanoate
CID 10023243
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde?
The IUPAC name of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde (CID 101191724) is (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde.
What is the SMILES notation for (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde?
The canonical SMILES for (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde is C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](C=O)c1ccccc1.
What is the InChIKey of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde?
The InChIKey is BWQWDKYJKMAGON-XXBNENTESA-N. The full InChI is InChI=1S/C23H23NO/c1-19(21-13-7-3-8-14-21)24(17-20-11-5-2-6-12-20)23(18-25)22-15-9-4-10-16-22/h2-16,18-19,23H,17H2,1H3/t19-,23+/m1/s1.
What are the key properties of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde?
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde has a molecular weight of 329.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde is sourced from PubChem (CID 101191724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).