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

C18H23NO — CID 43285337

IUPACN-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)20-18-11-6-5-10-17(18)14(3)19-4/h5-14,19H,1-4H3
InChIKeyFAEJNCSSHCYREK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.88
Rot. Bonds5

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

N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 43285337) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID43285337
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)20-18-11-6-5-10-17(18)14(3)19-4/h5-14,19H,1-4H3
InChIKeyFAEJNCSSHCYREK-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432
1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
CID 175733827
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
CID 43286020
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244244
1-[2-(3-chloro-4-nitrophenoxy)phenyl]-N-methylethanamine
CID 62111941

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine (CID 43285337) is N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine is CNC(C)c1ccccc1Oc1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is FAEJNCSSHCYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)20-18-11-6-5-10-17(18)14(3)19-4/h5-14,19H,1-4H3.
What are the key properties of N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine?
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43285337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).