2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine

C17H21ClN2O — CID 62620700

IUPAC2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
SMILESCOc1c(C)cnc(CC(C)(N)c2ccccc2Cl)c1C
InChIInChI=1S/C17H21ClN2O/c1-11-10-20-15(12(2)16(11)21-4)9-17(3,19)13-7-5-6-8-14(13)18/h5-8,10H,9,19H2,1-4H3
InChIKeyVZXWEBMKMMYOMR-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine

2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine (PubChem CID 62620700) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
PubChem CID62620700
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
SMILESCOc1c(C)cnc(CC(C)(N)c2ccccc2Cl)c1C
InChIInChI=1S/C17H21ClN2O/c1-11-10-20-15(12(2)16(11)21-4)9-17(3,19)13-7-5-6-8-14(13)18/h5-8,10H,9,19H2,1-4H3
InChIKeyVZXWEBMKMMYOMR-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine (CID 62620700) is 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine is COc1c(C)cnc(CC(C)(N)c2ccccc2Cl)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The InChIKey is VZXWEBMKMMYOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11-10-20-15(12(2)16(11)21-4)9-17(3,19)13-7-5-6-8-14(13)18/h5-8,10H,9,19H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 62620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).