N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

C17H27NO2 — CID 62595549

IUPACN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(C2(CNCC(C)C)CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)12-18-13-17(7-9-20-10-8-17)15-5-4-6-16(11-15)19-3/h4-6,11,14,18H,7-10,12-13H2,1-3H3
InChIKeyQKNNKPFBOFNMCF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.99
Rot. Bonds6

About N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62595549) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62595549
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(C2(CNCC(C)C)CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)12-18-13-17(7-9-20-10-8-17)15-5-4-6-16(11-15)19-3/h4-6,11,14,18H,7-10,12-13H2,1-3H3
InChIKeyQKNNKPFBOFNMCF-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-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

N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
CID 170893568
2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943218
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 62595549) is N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is COc1cccc(C2(CNCC(C)C)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QKNNKPFBOFNMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)12-18-13-17(7-9-20-10-8-17)15-5-4-6-16(11-15)19-3/h4-6,11,14,18H,7-10,12-13H2,1-3H3.
What are the key properties of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62595549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).