(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine

C16H20N2O — CID 114877931

IUPAC(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1ccncc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H20N2O/c1-11(2)19-14-6-4-5-13(9-14)16(17)15-10-18-8-7-12(15)3/h4-11,16H,17H2,1-3H3
InChIKeyHNNOEQYBPGTBSD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds4

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

(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 114877931) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID114877931
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1ccncc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H20N2O/c1-11(2)19-14-6-4-5-13(9-14)16(17)15-10-18-8-7-12(15)3/h4-11,16H,17H2,1-3H3
InChIKeyHNNOEQYBPGTBSD-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

[(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105279871
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
[(4-methyl-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105279939
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine (CID 114877931) is (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine is Cc1ccncc1C(N)c1cccc(OC(C)C)c1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is HNNOEQYBPGTBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)19-14-6-4-5-13(9-14)16(17)15-10-18-8-7-12(15)3/h4-11,16H,17H2,1-3H3.
What are the key properties of (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 114877931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).