N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine

C17H21NO — CID 11521708

IUPACN,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCN(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18(2)13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyQCDHZIMKVZMFID-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.37
Rot. Bonds6

About N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine

N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 11521708) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine
PubChem CID11521708
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCN(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18(2)13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyQCDHZIMKVZMFID-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine (CID 11521708) is N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine is CN(C)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is QCDHZIMKVZMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine?
N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 11521708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).