1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

C17H21ClN2O — CID 105027406

IUPAC1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1cccc(C)c1Cl
InChIInChI=1S/C17H21ClN2O/c1-11(2)21-14-8-13(9-20-10-14)17(19-4)15-7-5-6-12(3)16(15)18/h5-11,17,19H,1-4H3
InChIKeyCGMLSQUYHCOMTR-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027406) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027406
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1cccc(C)c1Cl
InChIInChI=1S/C17H21ClN2O/c1-11(2)21-14-8-13(9-20-10-14)17(19-4)15-7-5-6-12(3)16(15)18/h5-11,17,19H,1-4H3
InChIKeyCGMLSQUYHCOMTR-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019002
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
[(2,3-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330458
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176174
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176122
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027547
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 115804806

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027406) is 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is CNC(c1cncc(OC(C)C)c1)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is CGMLSQUYHCOMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)21-14-8-13(9-20-10-14)17(19-4)15-7-5-6-12(3)16(15)18/h5-11,17,19H,1-4H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 304.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).