1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine

C20H21N — CID 63527361

IUPAC1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C)cc(C(N)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N/c1-14-10-15(2)12-18(11-14)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,20H,13,21H2,1-2H3
InChIKeyOPNBCRAWENFABJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.70
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine

1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine (PubChem CID 63527361) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
PubChem CID63527361
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C)cc(C(N)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N/c1-14-10-15(2)12-18(11-14)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,20H,13,21H2,1-2H3
InChIKeyOPNBCRAWENFABJ-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
CID 62600642
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079585
1-(5-methylthiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 61079214
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 10314783
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(3-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079024
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine (CID 63527361) is 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine is Cc1cc(C)cc(C(N)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine?
The InChIKey is OPNBCRAWENFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-10-15(2)12-18(11-14)20(21)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,20H,13,21H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine?
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 63527361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).