N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine

C18H23NO — CID 11437142

IUPACN,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyPJUYQWIDNIAHIZ-SFHVURJKSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds6

About N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine

N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine (PubChem CID 11437142) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine
PubChem CID11437142
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyPJUYQWIDNIAHIZ-SFHVURJKSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
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-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine (CID 11437142) is N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine is Cc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine?
The InChIKey is PJUYQWIDNIAHIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine?
N,N-dimethyl-2-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 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-[(S)-(4-methylphenyl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 11437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).