(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine

C16H25NO — CID 115481965

IUPAC(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCCc1ccc(C(N)C2OCCC2C)cc1CC
InChIInChI=1S/C16H25NO/c1-4-12-6-7-14(10-13(12)5-2)15(17)16-11(3)8-9-18-16/h6-7,10-11,15-16H,4-5,8-9,17H2,1-3H3
InChIKeyRVLPCORFAZXWGV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds4

About (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine

(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 115481965) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID115481965
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCCc1ccc(C(N)C2OCCC2C)cc1CC
InChIInChI=1S/C16H25NO/c1-4-12-6-7-14(10-13(12)5-2)15(17)16-11(3)8-9-18-16/h6-7,10-11,15-16H,4-5,8-9,17H2,1-3H3
InChIKeyRVLPCORFAZXWGV-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82008971
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
(3,4-diethylphenyl)-(oxolan-2-yl)methanol
CID 113319177
2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115841332
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
CID 145378130
3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine (CID 115481965) is (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine is CCc1ccc(C(N)C2OCCC2C)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is RVLPCORFAZXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12-6-7-14(10-13(12)5-2)15(17)16-11(3)8-9-18-16/h6-7,10-11,15-16H,4-5,8-9,17H2,1-3H3.
What are the key properties of (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine?
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115481965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).