1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine

C16H19ClN2O — CID 105171386

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-13-6-4-5-12(9-13)16(18-3)14-7-8-19-10-15(14)17/h4-11,16,18H,1-3H3
InChIKeyXJOIBHJNDZGGKN-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine

1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105171386) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105171386
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-13-6-4-5-12(9-13)16(18-3)14-7-8-19-10-15(14)17/h4-11,16,18H,1-3H3
InChIKeyXJOIBHJNDZGGKN-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-(2-chloro-3-methylphenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019002
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 115567259
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
[(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105279871
N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019109
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027406
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105171299

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine (CID 105171386) is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine is CNC(c1cccc(OC(C)C)c1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is XJOIBHJNDZGGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-13-6-4-5-12(9-13)16(18-3)14-7-8-19-10-15(14)17/h4-11,16,18H,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 290.79 g/mol, XLogP of 3.83, 5 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-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105171386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).