1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone

C21H23NO — CID 150373620

IUPAC1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)(C)CC=C2c1ccc(CN)cc1
InChIInChI=1S/C21H23NO/c1-14(23)17-8-9-19-18(10-11-21(2,3)20(19)12-17)16-6-4-15(13-22)5-7-16/h4-10,12H,11,13,22H2,1-3H3
InChIKeyGYFSGXMTCQAKPX-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.46
Rot. Bonds3

About 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone

1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone (PubChem CID 150373620) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone
PubChem CID150373620
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)(C)CC=C2c1ccc(CN)cc1
InChIInChI=1S/C21H23NO/c1-14(23)17-8-9-19-18(10-11-21(2,3)20(19)12-17)16-6-4-15(13-22)5-7-16/h4-10,12H,11,13,22H2,1-3H3
InChIKeyGYFSGXMTCQAKPX-UHFFFAOYSA-N
XLogP4.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-phenylprop-2-en-1-one
CID 140992150
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)methylamino]-3-methylbenzoic acid
CID 69195071
1-[2-[[4-(aminomethyl)phenyl]methyl]-1,3-dihydroisoindol-5-yl]ethanone
CID 82164019
5-(3-acetylphenyl)-3,3-dimethyl-2H-inden-1-one
CID 69039120
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbamoylamino]benzoic acid
CID 177372379
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbamoyl]benzoic acid
CID 15485314
1-(2-acetyl-11,11,12,12-tetramethyl-6,6a-dihydroindeno[2,1-a]fluoren-9-yl)ethanone
CID 123632221
1-[3-[(1E)-1-hydroxyimino-3,3-dimethyl-2H-inden-5-yl]phenyl]ethanone
CID 87782327
1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone
CID 67020685
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
4-[2-[[8,8-dimethyl-5-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid
CID 10371112
1-phenylethanone;phenylmethanamine
CID 174700909

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone (CID 150373620) is 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone is CC(=O)c1ccc2c(c1)C(C)(C)CC=C2c1ccc(CN)cc1.
What is the InChIKey of 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone?
The InChIKey is GYFSGXMTCQAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-14(23)17-8-9-19-18(10-11-21(2,3)20(19)12-17)16-6-4-15(13-22)5-7-16/h4-10,12H,11,13,22H2,1-3H3.
What are the key properties of 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone?
1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(aminomethyl)phenyl]-8,8-dimethyl-7H-naphthalen-2-yl]ethanone is sourced from PubChem (CID 150373620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).