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

C18H21NO — CID 101191721

IUPAC(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
SMILESC[C@H](C=O)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(14-20)19(13-17-9-5-3-6-10-17)16(2)18-11-7-4-8-12-18/h3-12,14-16H,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyRPNMDQNBSAHXRP-HZPDHXFCSA-N
MW267.37 g/mol
LogP3.84
Rot. Bonds6

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

(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal (PubChem CID 101191721) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal.

Molecular Properties

Compound Name(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
PubChem CID101191721
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
SMILESC[C@H](C=O)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(14-20)19(13-17-9-5-3-6-10-17)16(2)18-11-7-4-8-12-18/h3-12,14-16H,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyRPNMDQNBSAHXRP-HZPDHXFCSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.84
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]-2-phenylacetaldehyde
CID 101191724
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
(E,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-hydroxyhex-4-enoic acid
CID 72949507
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
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
(E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-en-1-ol
CID 10364549
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-methylbutanoate
CID 131736615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal?
The IUPAC name of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal (CID 101191721) is (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal.
What is the SMILES notation for (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal?
The canonical SMILES for (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal is C[C@H](C=O)N(Cc1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal?
The InChIKey is RPNMDQNBSAHXRP-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(14-20)19(13-17-9-5-3-6-10-17)16(2)18-11-7-4-8-12-18/h3-12,14-16H,13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal?
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal has a molecular weight of 267.37 g/mol, XLogP of 3.84, 6 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]propanal is sourced from PubChem (CID 101191721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).