CID 174065240

C14H19BN2O — CID 174065240

IUPAC—
SMILES[B][C@@H]([C@H](C)N(C)C)n1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19BN2O/c1-10(16(2)3)14(15)17-8-7-11-9-12(18-4)5-6-13(11)17/h5-10,14H,1-4H3/t10-,14+/m0/s1
InChIKeyGEJYHWHWXUBUFK-IINYFYTJSA-N
MW242.13 g/mol
LogP2.27
Rot. Bonds4

About CID 174065240

CID 174065240 (PubChem CID 174065240) has the molecular formula C14H19BN2O and a molecular weight of 242.13 g/mol.

Molecular Properties

Compound NameCID 174065240
PubChem CID174065240
Molecular FormulaC14H19BN2O
Molecular Weight242.13 g/mol
Exact Mass242.16
IUPAC Name—
SMILES[B][C@@H]([C@H](C)N(C)C)n1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19BN2O/c1-10(16(2)3)14(15)17-8-7-11-9-12(18-4)5-6-13(11)17/h5-10,14H,1-4H3/t10-,14+/m0/s1
InChIKeyGEJYHWHWXUBUFK-IINYFYTJSA-N
XLogP2.27
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762111
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
5-methoxy-1-methylindole
CID 819864
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
CID 168762068
5-methoxyindole-1-carboxylic acid
CID 68566461
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
5-methoxy-1-prop-2-ynylindole
CID 45091362

Frequently Asked Questions

What is the IUPAC name of CID 174065240?
The IUPAC name of CID 174065240 (CID 174065240) is not available.
What is the SMILES notation for CID 174065240?
The canonical SMILES for CID 174065240 is [B][C@@H]([C@H](C)N(C)C)n1ccc2cc(OC)ccc21.
What is the InChIKey of CID 174065240?
The InChIKey is GEJYHWHWXUBUFK-IINYFYTJSA-N. The full InChI is InChI=1S/C14H19BN2O/c1-10(16(2)3)14(15)17-8-7-11-9-12(18-4)5-6-13(11)17/h5-10,14H,1-4H3/t10-,14+/m0/s1.
What are the key properties of CID 174065240?
CID 174065240 has a molecular weight of 242.13 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174065240 is sourced from PubChem (CID 174065240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).