N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine

C18H29NO — CID 82760875

IUPACN-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(C)c2C)CCO1
InChIInChI=1S/C18H29NO/c1-5-18(6-2)12-17(10-11-20-18)19-13-16-9-7-8-14(3)15(16)4/h7-9,17,19H,5-6,10-13H2,1-4H3
InChIKeyWNXTUXHBFOBYRU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine

N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine (PubChem CID 82760875) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
PubChem CID82760875
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(C)c2C)CCO1
InChIInChI=1S/C18H29NO/c1-5-18(6-2)12-17(10-11-20-18)19-13-16-9-7-8-14(3)15(16)4/h7-9,17,19H,5-6,10-13H2,1-4H3
InChIKeyWNXTUXHBFOBYRU-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine 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

2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide
CID 83035865
2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
CID 107911862
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
CID 114556046

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine (CID 82760875) is N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCc2cccc(C)c2C)CCO1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine?
The InChIKey is WNXTUXHBFOBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-18(6-2)12-17(10-11-20-18)19-13-16-9-7-8-14(3)15(16)4/h7-9,17,19H,5-6,10-13H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine?
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 82760875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).