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

C17H21ClN2O — CID 105026800

IUPAC1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cccc(C)c2Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-4-8-21-14-9-13(10-20-11-14)17(19-3)15-7-5-6-12(2)16(15)18/h5-7,9-11,17,19H,4,8H2,1-3H3
InChIKeyGVRMVWABXXEVOM-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.14
Rot. Bonds6

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

1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105026800) 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-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105026800
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cccc(C)c2Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-4-8-21-14-9-13(10-20-11-14)17(19-3)15-7-5-6-12(2)16(15)18/h5-7,9-11,17,19H,4,8H2,1-3H3
InChIKeyGVRMVWABXXEVOM-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027406
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 105026800) is 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cccc(C)c2Cl)c1.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is GVRMVWABXXEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-8-21-14-9-13(10-20-11-14)17(19-3)15-7-5-6-12(2)16(15)18/h5-7,9-11,17,19H,4,8H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 304.82 g/mol, XLogP of 4.14, 6 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-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).