CID 144610773

C15H22BNO — CID 144610773

IUPAC—
SMILES[B]c1cc(C)c(C)c(N(CC)C2CCOCC2)c1
InChIInChI=1S/C15H22BNO/c1-4-17(14-5-7-18-8-6-14)15-10-13(16)9-11(2)12(15)3/h9-10,14H,4-8H2,1-3H3
InChIKeyURQQFAWQKCKBIL-UHFFFAOYSA-N
MW243.16 g/mol
LogP2.10
Rot. Bonds3

About CID 144610773

CID 144610773 (PubChem CID 144610773) has the molecular formula C15H22BNO and a molecular weight of 243.16 g/mol.

Molecular Properties

Compound NameCID 144610773
PubChem CID144610773
Molecular FormulaC15H22BNO
Molecular Weight243.16 g/mol
Exact Mass243.18
IUPAC Name—
SMILES[B]c1cc(C)c(C)c(N(CC)C2CCOCC2)c1
InChIInChI=1S/C15H22BNO/c1-4-17(14-5-7-18-8-6-14)15-10-13(16)9-11(2)12(15)3/h9-10,14H,4-8H2,1-3H3
InChIKeyURQQFAWQKCKBIL-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.10
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

1-[5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylphenyl]ethanone
CID 129108651
N-ethyl-N-[5-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-2,3-dimethylphenyl]oxan-4-amine
CID 166958077
5-cyano-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acid
CID 156784024
ethyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 90273001
6-[ethyl(oxan-4-yl)amino]-3,5-dimethyl-1-benzofuran-2-carbaldehyde
CID 150942945
4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxylic acid
CID 141422273
N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 123775925
methyl 3-[ethyl(oxan-4-yl)amino]-5-(2-formylcyclopropyl)-2-methylbenzoate
CID 158612790
methyl 5-(1-tert-butylazetidin-3-yl)-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 70874080
methyl 5-(1,3-dihydroisoindol-2-yl)-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 155165037
methyl 3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
CID 157479889
methyl 3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(oxiran-2-yl)phenyl]benzoate
CID 145379558

Frequently Asked Questions

What is the IUPAC name of CID 144610773?
The IUPAC name of CID 144610773 (CID 144610773) is not available.
What is the SMILES notation for CID 144610773?
The canonical SMILES for CID 144610773 is [B]c1cc(C)c(C)c(N(CC)C2CCOCC2)c1.
What is the InChIKey of CID 144610773?
The InChIKey is URQQFAWQKCKBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO/c1-4-17(14-5-7-18-8-6-14)15-10-13(16)9-11(2)12(15)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of CID 144610773?
CID 144610773 has a molecular weight of 243.16 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144610773 is sourced from PubChem (CID 144610773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).