2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine

C16H25NO2 — CID 2877763

IUPAC2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCOc1ccc(C2(CCN)CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-15(2)12-16(8-10-17,9-11-19-15)13-4-6-14(18-3)7-5-13/h4-7H,8-12,17H2,1-3H3
InChIKeyBXKVYLVDXNEOQL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine

2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 2877763) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID2877763
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCOc1ccc(C2(CCN)CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-15(2)12-16(8-10-17,9-11-19-15)13-4-6-14(18-3)7-5-13/h4-7H,8-12,17H2,1-3H3
InChIKeyBXKVYLVDXNEOQL-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine 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

(+-)-p-Methoxyamphetamine
CID 31721
O-Methyltyramine
CID 4657
N,N-Didesmethylvenlafaxine
CID 9795857
N-Desmethylvenlafaxine
CID 3501942
3-Methoxyphenethylamine
CID 74866
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379
1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CID 104033
2-(4-Benzyloxy-phenyl)-ethylamine
CID 200957
(1r)-3-Amino-1-{3-[(2,6,6-Trimethylcyclohex-1-En-1-Yl)methoxy]phenyl}propan-1-Ol
CID 91666313
4-Benzyloxyamphetamine
CID 134616
1-(4-Propoxyphenyl)propan-2-amine
CID 3027265
[2-(4-Isopropyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethyl]-(4-methoxy-benzyl)-amine
CID 3333309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine (CID 2877763) is 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine is COc1ccc(C2(CCN)CCOC(C)(C)C2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is BXKVYLVDXNEOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)12-16(8-10-17,9-11-19-15)13-4-6-14(18-3)7-5-13/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine?
2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 2877763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).