CID 11303039

C15H18NO2 — CID 11303039

IUPAC—
SMILESCOc1ccc(CNC[C]2[CH][CH][CH][CH]2)cc1OC
InChIInChI=1S/C15H18NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h3-9,16H,10-11H2,1-2H3
InChIKeyCQKQXEXNEHMZJT-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.20
Rot. Bonds6

About CID 11303039

CID 11303039 (PubChem CID 11303039) has the molecular formula C15H18NO2 and a molecular weight of 244.31 g/mol.

Molecular Properties

Compound NameCID 11303039
PubChem CID11303039
Molecular FormulaC15H18NO2
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name—
SMILESCOc1ccc(CNC[C]2[CH][CH][CH][CH]2)cc1OC
InChIInChI=1S/C15H18NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h3-9,16H,10-11H2,1-2H3
InChIKeyCQKQXEXNEHMZJT-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
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1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
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N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
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N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
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N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 11303039?
The IUPAC name of CID 11303039 (CID 11303039) is not available.
What is the SMILES notation for CID 11303039?
The canonical SMILES for CID 11303039 is COc1ccc(CNC[C]2[CH][CH][CH][CH]2)cc1OC.
What is the InChIKey of CID 11303039?
The InChIKey is CQKQXEXNEHMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h3-9,16H,10-11H2,1-2H3.
What are the key properties of CID 11303039?
CID 11303039 has a molecular weight of 244.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11303039 is sourced from PubChem (CID 11303039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).