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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).