N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine

C17H21NO — CID 63943488

IUPACN-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
SMILESCNCc1cccc(Oc2ccccc2C(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)16-9-4-5-10-17(16)19-15-8-6-7-14(11-15)12-18-3/h4-11,13,18H,12H2,1-3H3
InChIKeyNSHZSOGECCKLQA-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.32
Rot. Bonds5

About N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine

N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine (PubChem CID 63943488) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
PubChem CID63943488
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
SMILESCNCc1cccc(Oc2ccccc2C(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)16-9-4-5-10-17(16)19-15-8-6-7-14(11-15)12-18-3/h4-11,13,18H,12H2,1-3H3
InChIKeyNSHZSOGECCKLQA-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]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-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 63942716
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
CID 63649076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine (CID 63943488) is N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine is CNCc1cccc(Oc2ccccc2C(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is NSHZSOGECCKLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)16-9-4-5-10-17(16)19-15-8-6-7-14(11-15)12-18-3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine?
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63943488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).