CID 11984519

C16H18NO — CID 11984519

IUPAC—
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@@H](O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H18NO/c1-12(13-7-3-2-4-8-13)17-11-15(17)16(18)14-9-5-6-10-14/h2-10,12,15-16,18H,11H2,1H3/t12-,15-,16+,17?/m1/s1
InChIKeyBYXHTSHMXJTKMA-AJSFGMTHSA-N
MW240.33 g/mol
LogP2.20
Rot. Bonds4

About CID 11984519

CID 11984519 (PubChem CID 11984519) has the molecular formula C16H18NO and a molecular weight of 240.33 g/mol.

Molecular Properties

Compound NameCID 11984519
PubChem CID11984519
Molecular FormulaC16H18NO
Molecular Weight240.33 g/mol
Exact Mass240.14
IUPAC Name—
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@@H](O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H18NO/c1-12(13-7-3-2-4-8-13)17-11-15(17)16(18)14-9-5-6-10-14/h2-10,12,15-16,18H,11H2,1H3/t12-,15-,16+,17?/m1/s1
InChIKeyBYXHTSHMXJTKMA-AJSFGMTHSA-N
XLogP2.20
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze CID 11984519 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 10515991
(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
CID 12027951
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
CID 142660938
(1R)-1-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]but-3-en-1-ol
CID 71475357
methyl (2S,3S)-2,3-dihydroxy-3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966686
(1R)-1-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]hept-2-yn-1-ol
CID 100979767
ethyl (3S)-3-hydroxy-3-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11832258
ethyl (3S)-3-hydroxy-3-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11076293
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
CID 12025791
methyl 3-hydroxy-2-(4-methoxyphenyl)-3-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966966

Frequently Asked Questions

What is the IUPAC name of CID 11984519?
The IUPAC name of CID 11984519 (CID 11984519) is not available.
What is the SMILES notation for CID 11984519?
The canonical SMILES for CID 11984519 is C[C@H](c1ccccc1)N1C[C@@H]1[C@@H](O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11984519?
The InChIKey is BYXHTSHMXJTKMA-AJSFGMTHSA-N. The full InChI is InChI=1S/C16H18NO/c1-12(13-7-3-2-4-8-13)17-11-15(17)16(18)14-9-5-6-10-14/h2-10,12,15-16,18H,11H2,1H3/t12-,15-,16+,17?/m1/s1.
What are the key properties of CID 11984519?
CID 11984519 has a molecular weight of 240.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11984519 is sourced from PubChem (CID 11984519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).