CID 174026640

C18H25B2NO — CID 174026640

IUPAC—
SMILES[B]C([B])N(CC)[C@H]1Cc2ccc(OC)cc2C2CCCCC21
InChIInChI=1S/C18H25B2NO/c1-3-21(18(19)20)17-10-12-8-9-13(22-2)11-16(12)14-6-4-5-7-15(14)17/h8-9,11,14-15,17-18H,3-7,10H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyLGWCPSPROVHJOX-DQPZFDDXSA-N
MW293.03 g/mol
LogP2.84
Rot. Bonds4

About CID 174026640

CID 174026640 (PubChem CID 174026640) has the molecular formula C18H25B2NO and a molecular weight of 293.03 g/mol.

Molecular Properties

Compound NameCID 174026640
PubChem CID174026640
Molecular FormulaC18H25B2NO
Molecular Weight293.03 g/mol
Exact Mass293.21
IUPAC Name—
SMILES[B]C([B])N(CC)[C@H]1Cc2ccc(OC)cc2C2CCCCC21
InChIInChI=1S/C18H25B2NO/c1-3-21(18(19)20)17-10-12-8-9-13(22-2)11-16(12)14-6-4-5-7-15(14)17/h8-9,11,14-15,17-18H,3-7,10H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyLGWCPSPROVHJOX-DQPZFDDXSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-iodo-N-[(9S)-3-methoxy-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-yl]carbamate
CID 126539914
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
6-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376099
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
2-N-cyclopentyl-1-N-ethyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370507
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79375006
2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
(7R,8aS,9S)-3-(difluoromethoxy)-N-ethyl-N,7-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine
CID 174111834

Frequently Asked Questions

What is the IUPAC name of CID 174026640?
The IUPAC name of CID 174026640 (CID 174026640) is not available.
What is the SMILES notation for CID 174026640?
The canonical SMILES for CID 174026640 is [B]C([B])N(CC)[C@H]1Cc2ccc(OC)cc2C2CCCCC21.
What is the InChIKey of CID 174026640?
The InChIKey is LGWCPSPROVHJOX-DQPZFDDXSA-N. The full InChI is InChI=1S/C18H25B2NO/c1-3-21(18(19)20)17-10-12-8-9-13(22-2)11-16(12)14-6-4-5-7-15(14)17/h8-9,11,14-15,17-18H,3-7,10H2,1-2H3/t14?,15?,17-/m0/s1.
What are the key properties of CID 174026640?
CID 174026640 has a molecular weight of 293.03 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174026640 is sourced from PubChem (CID 174026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).