2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone

C27H25NO — CID 175248092

IUPAC2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone
SMILESO=C(CNCc1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C27H25NO/c29-27(18-28-17-19-6-2-1-3-7-19)22-11-10-21-13-14-24-23-9-5-4-8-20(23)12-15-25(24)26(21)16-22/h1-9,13-16,22,28H,10-12,17-18H2
InChIKeyJACCJWGTAFFHET-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.39
Rot. Bonds5

About 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone

2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone (PubChem CID 175248092) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone.

Molecular Properties

Compound Name2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone
PubChem CID175248092
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone
SMILESO=C(CNCc1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C27H25NO/c29-27(18-28-17-19-6-2-1-3-7-19)22-11-10-21-13-14-24-23-9-5-4-8-20(23)12-15-25(24)26(21)16-22/h1-9,13-16,22,28H,10-12,17-18H2
InChIKeyJACCJWGTAFFHET-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511724
1H-azepine;(4-benzylphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175248021
1-benzothiophen-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250910
(3-methoxyphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525868
1H-azepine;furan-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525764
(4-methyl-3-nitrophenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511667
1H-azepine;pyridin-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525730
[3-nitro-5-(trifluoromethyl)phenyl]-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511589
1-(8-bromo-1,2,3,6-tetrahydrochrysen-3-yl)ethanone
CID 174511889
(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511690
1H-azepine;(2-bromo-4-methylphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250927
1H-azepine;2,1,3-benzothiadiazol-5-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525826

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone?
The IUPAC name of 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone (CID 175248092) is 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone.
What is the SMILES notation for 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone?
The canonical SMILES for 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone is O=C(CNCc1ccccc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1.
What is the InChIKey of 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone?
The InChIKey is JACCJWGTAFFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c29-27(18-28-17-19-6-2-1-3-7-19)22-11-10-21-13-14-24-23-9-5-4-8-20(23)12-15-25(24)26(21)16-22/h1-9,13-16,22,28H,10-12,17-18H2.
What are the key properties of 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone?
2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone has a molecular weight of 379.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone is sourced from PubChem (CID 175248092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).