N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride

C18H24ClNO — CID 9568

IUPACN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyUQZKYYIKWZOKKD-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.08
Rot. Bonds6

About N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride

N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride (PubChem CID 9568) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
PubChem CID9568
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyUQZKYYIKWZOKKD-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.08
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-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride (CID 9568) is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride is Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The InChIKey is UQZKYYIKWZOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.08, 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-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride is sourced from PubChem (CID 9568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).