N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine

C18H23NO — CID 150548466

IUPACN,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1ccccc1Oc1cccc(CC(C)N(C)C)c1
InChIInChI=1S/C18H23NO/c1-14-8-5-6-11-18(14)20-17-10-7-9-16(13-17)12-15(2)19(3)4/h5-11,13,15H,12H2,1-4H3
InChIKeyIHJAFXRWJUTLKY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.28
Rot. Bonds5

About N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine

N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine (PubChem CID 150548466) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
PubChem CID150548466
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1ccccc1Oc1cccc(CC(C)N(C)C)c1
InChIInChI=1S/C18H23NO/c1-14-8-5-6-11-18(14)20-17-10-7-9-16(13-17)12-15(2)19(3)4/h5-11,13,15H,12H2,1-4H3
InChIKeyIHJAFXRWJUTLKY-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
CID 175007063
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
[3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate
CID 23034261
2-[3-[2-[[3-(2-aminophenoxy)phenyl]methyl]butyl]phenoxy]aniline
CID 69081227
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine (CID 150548466) is N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine is Cc1ccccc1Oc1cccc(CC(C)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is IHJAFXRWJUTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-8-5-6-11-18(14)20-17-10-7-9-16(13-17)12-15(2)19(3)4/h5-11,13,15H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine?
N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 150548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).