N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine

C18H23NO — CID 79170154

IUPACN-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19-4/h5-14,19H,1-4H3
InChIKeyMBACKYDIUCOABD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.88
Rot. Bonds5

About N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine

N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 79170154) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID79170154
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19-4/h5-14,19H,1-4H3
InChIKeyMBACKYDIUCOABD-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

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Related Compounds

(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
CID 79167679
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-[3-[3-(methoxymethyl)phenoxy]phenyl]-N-methylethanamine
CID 79167488
CID 91869714
CID 91869714
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine (CID 79170154) is N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine is CNC(C)c1cccc(Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is MBACKYDIUCOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19-4/h5-14,19H,1-4H3.
What are the key properties of N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine?
N-methyl-1-[3-(4-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-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 79170154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).