1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine

C19H24ClNO2 — CID 12926478

IUPAC1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(C(C)(COCc2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C19H24ClNO2/c1-19(21(2)3,16-7-11-18(22-4)12-8-16)14-23-13-15-5-9-17(20)10-6-15/h5-12H,13-14H2,1-4H3
InChIKeyPARCCRLZNVXQRF-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.34
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine

1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine (PubChem CID 12926478) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
PubChem CID12926478
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(C(C)(COCc2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C19H24ClNO2/c1-19(21(2)3,16-7-11-18(22-4)12-8-16)14-23-13-15-5-9-17(20)10-6-15/h5-12H,13-14H2,1-4H3
InChIKeyPARCCRLZNVXQRF-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine (CID 12926478) is 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine is COc1ccc(C(C)(COCc2ccc(Cl)cc2)N(C)C)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is PARCCRLZNVXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-19(21(2)3,16-7-11-18(22-4)12-8-16)14-23-13-15-5-9-17(20)10-6-15/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 333.86 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 12926478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).