1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine

C17H21ClN2O — CID 105157450

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)Cc1ccncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-13-4-3-5-16(10-13)21-9-7-15(19-2)11-14-6-8-20-12-17(14)18/h3-6,8,10,12,15,19H,7,9,11H2,1-2H3
InChIKeyAUEMKAPLMXXGOH-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.64
Rot. Bonds7

About 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine

1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine (PubChem CID 105157450) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
PubChem CID105157450
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)Cc1ccncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-13-4-3-5-16(10-13)21-9-7-15(19-2)11-14-6-8-20-12-17(14)18/h3-6,8,10,12,15,19H,7,9,11H2,1-2H3
InChIKeyAUEMKAPLMXXGOH-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105314840
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105119056
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine (CID 105157450) is 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine is CNC(CCOc1cccc(C)c1)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The InChIKey is AUEMKAPLMXXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13-4-3-5-16(10-13)21-9-7-15(19-2)11-14-6-8-20-12-17(14)18/h3-6,8,10,12,15,19H,7,9,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 105157450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).