N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

C18H31NO2 — CID 63484932

IUPACN-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)ccc1OCCC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-19-13-15-7-8-16(17(11-15)20-6)21-10-9-18(3,4)5/h7-8,11,14,19H,9-10,12-13H2,1-6H3
InChIKeyWGCJCRWRQCTUCP-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.26
Rot. Bonds8

About N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63484932) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63484932
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)ccc1OCCC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-19-13-15-7-8-16(17(11-15)20-6)21-10-9-18(3,4)5/h7-8,11,14,19H,9-10,12-13H2,1-6H3
InChIKeyWGCJCRWRQCTUCP-UHFFFAOYSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]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-[[3-bromo-4-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63499249
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 63484932) is N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1cc(CNCC(C)C)ccc1OCCC(C)(C)C.
What is the InChIKey of N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WGCJCRWRQCTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)12-19-13-15-7-8-16(17(11-15)20-6)21-10-9-18(3,4)5/h7-8,11,14,19H,9-10,12-13H2,1-6H3.
What are the key properties of N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63484932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).