(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C19H25NO — CID 81431016

IUPAC(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C19H25NO/c1-11-9-10-15-7-5-6-8-16(15)17(11)19(20)18-12(2)13(3)21-14(18)4/h5-10,12-14,18-19H,20H2,1-4H3
InChIKeySJDFINCHMJWWCK-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.21
Rot. Bonds2

About (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 81431016) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID81431016
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C19H25NO/c1-11-9-10-15-7-5-6-8-16(15)17(11)19(20)18-12(2)13(3)21-14(18)4/h5-10,12-14,18-19H,20H2,1-4H3
InChIKeySJDFINCHMJWWCK-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018368
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 104997435
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
(1-methylcyclopentyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81432883
3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81430295
(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 102763547
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81430292

Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 81431016) is (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is Cc1ccc2ccccc2c1C(N)C1C(C)OC(C)C1C.
What is the InChIKey of (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is SJDFINCHMJWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-11-9-10-15-7-5-6-8-16(15)17(11)19(20)18-12(2)13(3)21-14(18)4/h5-10,12-14,18-19H,20H2,1-4H3.
What are the key properties of (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 283.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 81431016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).