2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one

C23H23NO — CID 70167145

IUPAC2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one
SMILESCC1(NCCc2ccccc2)CCc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C23H23NO/c1-23(24-16-14-17-7-3-2-4-8-17)15-13-20-19-10-6-5-9-18(19)11-12-21(20)22(23)25/h2-12,24H,13-16H2,1H3
InChIKeyAQUQVYMQAMVUEY-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.56
Rot. Bonds4

About 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one

2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one (PubChem CID 70167145) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one
PubChem CID70167145
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one
SMILESCC1(NCCc2ccccc2)CCc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C23H23NO/c1-23(24-16-14-17-7-3-2-4-8-17)15-13-20-19-10-6-5-9-18(19)11-12-21(20)22(23)25/h2-12,24H,13-16H2,1H3
InChIKeyAQUQVYMQAMVUEY-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthrene-17-carboxylic acid
CID 24972812
1-(2-phenylethylamino)cyclopentan-1-ol
CID 67750997
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
13-methylspiro[12,14,15,17-tetrahydro-11H-cyclopenta[a]phenanthrene-16,2'-cyclobutane]-1'-one
CID 606472
(2S)-2-benzyl-2-methylbenzo[f]chromene-1,3-dione
CID 825143
methyl 3,4-dihydrophenanthrene-1-carboxylate
CID 601807
1-(1H-benzo[e][1,2]benzothiazol-2-yl)-3-(2-phenylethyl)thiourea
CID 86750191
(2-phenylethylamino) methanesulfonate
CID 87093071
(3Z,7E)-7-(bromomethylidene)-3a-methyl-3-[(2-phenylethylamino)methylidene]-4,5,6,7a-tetrahydro-1H-inden-2-one
CID 143477707
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
CID 152760490
N-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalene-2-carboxamide
CID 27670981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one?
The IUPAC name of 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one (CID 70167145) is 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one.
What is the SMILES notation for 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one?
The canonical SMILES for 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one is CC1(NCCc2ccccc2)CCc2c(ccc3ccccc23)C1=O.
What is the InChIKey of 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one?
The InChIKey is AQUQVYMQAMVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(24-16-14-17-7-3-2-4-8-17)15-13-20-19-10-6-5-9-18(19)11-12-21(20)22(23)25/h2-12,24H,13-16H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one?
2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one has a molecular weight of 329.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one is sourced from PubChem (CID 70167145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).