N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine

C17H21N — CID 16747715

IUPACN,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine
SMILESCc1ccccc1-c1cccc(CCN(C)C)c1
InChIInChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
InChIKeyHOMNPSYKSQTOHK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.77
Rot. Bonds4

About N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine

N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine (PubChem CID 16747715) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine
PubChem CID16747715
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine
SMILESCc1ccccc1-c1cccc(CCN(C)C)c1
InChIInChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
InChIKeyHOMNPSYKSQTOHK-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine (CID 16747715) is N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine is Cc1ccccc1-c1cccc(CCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine?
The InChIKey is HOMNPSYKSQTOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine?
N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 16747715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).