(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol

C24H31NO — CID 10937008

IUPAC(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol
SMILESCCCCCC#C[C@@H](C)N(Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C24H31NO/c1-3-4-5-6-9-14-21(2)25(19-22-15-10-7-11-16-22)24(20-26)23-17-12-8-13-18-23/h7-8,10-13,15-18,21,24,26H,3-6,19-20H2,1-2H3/t21-,24+/m1/s1
InChIKeyXYPIMBKHBIOZGR-QPPBQGQZSA-N
MW349.52 g/mol
LogP5.19
Rot. Bonds9

About (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol

(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol (PubChem CID 10937008) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol
PubChem CID10937008
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol
SMILESCCCCCC#C[C@@H](C)N(Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C24H31NO/c1-3-4-5-6-9-14-21(2)25(19-22-15-10-7-11-16-22)24(20-26)23-17-12-8-13-18-23/h7-8,10-13,15-18,21,24,26H,3-6,19-20H2,1-2H3/t21-,24+/m1/s1
InChIKeyXYPIMBKHBIOZGR-QPPBQGQZSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11059984
CID 11059984
CID 11059983
CID 11059983
CID 10815533
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CID 11433854
(2R)-2-[benzyl-[(E,2R)-5,5-dimethylhex-3-en-2-yl]amino]-2-phenylethanol
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N-benzyl-N-pentadecan-2-ylpentadecan-2-amine
CID 90045050
N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 11748505
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
ethyl N-methyl-N-(1-phenylnon-2-ynyl)carbamate
CID 71697749
N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
CID 132581027
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol (CID 10937008) is (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol is CCCCCC#C[C@@H](C)N(Cc1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol?
The InChIKey is XYPIMBKHBIOZGR-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-4-5-6-9-14-21(2)25(19-22-15-10-7-11-16-22)24(20-26)23-17-12-8-13-18-23/h7-8,10-13,15-18,21,24,26H,3-6,19-20H2,1-2H3/t21-,24+/m1/s1.
What are the key properties of (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol?
(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol has a molecular weight of 349.52 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 10937008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).