8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one

C25H21NO — CID 174762256

IUPAC8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one
SMILESNCc1cccc(-c2ccc3c(c2)CC(=O)c2c-3ccc3c2=CCCC=3)c1
InChIInChI=1S/C25H21NO/c26-15-16-4-3-6-18(12-16)19-9-10-21-20(13-19)14-24(27)25-22-7-2-1-5-17(22)8-11-23(21)25/h3-13H,1-2,14-15,26H2
InChIKeyZMFSVBZIROHLHU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds2

About 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one

8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one (PubChem CID 174762256) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one.

Molecular Properties

Compound Name8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one
PubChem CID174762256
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one
SMILESNCc1cccc(-c2ccc3c(c2)CC(=O)c2c-3ccc3c2=CCCC=3)c1
InChIInChI=1S/C25H21NO/c26-15-16-4-3-6-18(12-16)19-9-10-21-20(13-19)14-24(27)25-22-7-2-1-5-17(22)8-11-23(21)25/h3-13H,1-2,14-15,26H2
InChIKeyZMFSVBZIROHLHU-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
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[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
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[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
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[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
[3-(4-methylphenyl)phenyl]methanamine
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5-[3-(hydroxymethyl)phenyl]-2,3-dihydroinden-1-one
CID 68869011
2-[4-[(3-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 142614829
[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]methanamine
CID 145110816
[3-(3H-inden-1-yl)phenyl]methanamine
CID 174763400
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760

Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one?
The IUPAC name of 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one (CID 174762256) is 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one.
What is the SMILES notation for 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one?
The canonical SMILES for 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one is NCc1cccc(-c2ccc3c(c2)CC(=O)c2c-3ccc3c2=CCCC=3)c1.
What is the InChIKey of 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one?
The InChIKey is ZMFSVBZIROHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c26-15-16-4-3-6-18(12-16)19-9-10-21-20(13-19)14-24(27)25-22-7-2-1-5-17(22)8-11-23(21)25/h3-13H,1-2,14-15,26H2.
What are the key properties of 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one?
8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one has a molecular weight of 351.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)phenyl]-3,6-dihydro-2H-chrysen-5-one is sourced from PubChem (CID 174762256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).