N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine

C18H23NO — CID 62452895

IUPACN-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
SMILESCc1cccc(OC(CNC(C)C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14(2)19-13-18(16-9-5-4-6-10-16)20-17-11-7-8-15(3)12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyWIGDKOYSLKYEHX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine

N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine (PubChem CID 62452895) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
PubChem CID62452895
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
SMILESCc1cccc(OC(CNC(C)C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14(2)19-13-18(16-9-5-4-6-10-16)20-17-11-7-8-15(3)12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyWIGDKOYSLKYEHX-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
CID 64721768

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine (CID 62452895) is N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine is Cc1cccc(OC(CNC(C)C)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine?
The InChIKey is WIGDKOYSLKYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)19-13-18(16-9-5-4-6-10-16)20-17-11-7-8-15(3)12-17/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine?
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 62452895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).