(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C17H22N2O — CID 105027342

IUPAC(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11(2)20-15-8-14(9-19-10-15)17(18)16-6-5-12(3)7-13(16)4/h5-11,17H,18H2,1-4H3
InChIKeyNBLAREPKCYVQFB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.53
Rot. Bonds4

About (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027342) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027342
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11(2)20-15-8-14(9-19-10-15)17(18)16-6-5-12(3)7-13(16)4/h5-11,17H,18H2,1-4H3
InChIKeyNBLAREPKCYVQFB-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027342) is (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cncc(OC(C)C)c2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is NBLAREPKCYVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)20-15-8-14(9-19-10-15)17(18)16-6-5-12(3)7-13(16)4/h5-11,17H,18H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).