3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine

C19H24ClNO — CID 11631099

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine
SMILESCc1ccc(COC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO/c1-15-4-6-16(7-5-15)14-22-19(12-13-21(2)3)17-8-10-18(20)11-9-17/h4-11,19H,12-14H2,1-3H3
InChIKeyRWWAQQQCKBKDJJ-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.86
Rot. Bonds7

About 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine

3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine (PubChem CID 11631099) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine
PubChem CID11631099
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine
SMILESCc1ccc(COC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO/c1-15-4-6-16(7-5-15)14-22-19(12-13-21(2)3)17-8-10-18(20)11-9-17/h4-11,19H,12-14H2,1-3H3
InChIKeyRWWAQQQCKBKDJJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine (CID 11631099) is 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine is Cc1ccc(COC(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine?
The InChIKey is RWWAQQQCKBKDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-15-4-6-16(7-5-15)14-22-19(12-13-21(2)3)17-8-10-18(20)11-9-17/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine?
3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-3-[(4-methylphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 11631099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).