(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine

C16H20N2O — CID 105180812

IUPAC(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cncc(C)c1
InChIInChI=1S/C16H20N2O/c1-3-8-19-15-7-5-4-6-14(15)16(17)13-9-12(2)10-18-11-13/h4-7,9-11,16H,3,8,17H2,1-2H3
InChIKeyXBXMMGNPPAORTB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds5

About (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine

(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine (PubChem CID 105180812) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
PubChem CID105180812
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cncc(C)c1
InChIInChI=1S/C16H20N2O/c1-3-8-19-15-7-5-4-6-14(15)16(17)13-9-12(2)10-18-11-13/h4-7,9-11,16H,3,8,17H2,1-2H3
InChIKeyXBXMMGNPPAORTB-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(6-methoxypyrimidin-4-yl)-(2-propoxyphenyl)methanamine
CID 102950546
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
CID 105035897
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine (CID 105180812) is (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cncc(C)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine?
The InChIKey is XBXMMGNPPAORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-8-19-15-7-5-4-6-14(15)16(17)13-9-12(2)10-18-11-13/h4-7,9-11,16H,3,8,17H2,1-2H3.
What are the key properties of (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine?
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105180812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).