N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride

C17H22ClN — CID 23723131

IUPACN,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
SMILESCN(C)Cc1ccccc1CCc1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-18(2)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyFLJCCGZSRTVQCH-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.96
Rot. Bonds5

About N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride

N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride (PubChem CID 23723131) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
PubChem CID23723131
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
SMILESCN(C)Cc1ccccc1CCc1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-18(2)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyFLJCCGZSRTVQCH-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride (CID 23723131) is N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride is CN(C)Cc1ccccc1CCc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride?
The InChIKey is FLJCCGZSRTVQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-18(2)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride?
N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 23723131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).