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

C15H16Cl2N2O — CID 105027357

IUPAC(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1cncc(C(N)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)20-12-5-10(7-19-8-12)15(18)13-4-3-11(16)6-14(13)17/h3-9,15H,18H2,1-2H3
InChIKeyVXMQWODFCCZXDQ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.22
Rot. Bonds4

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

(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027357) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027357
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1cncc(C(N)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)20-12-5-10(7-19-8-12)15(18)13-4-3-11(16)6-14(13)17/h3-9,15H,18H2,1-2H3
InChIKeyVXMQWODFCCZXDQ-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027357) is (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is CC(C)Oc1cncc(C(N)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is VXMQWODFCCZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9(2)20-12-5-10(7-19-8-12)15(18)13-4-3-11(16)6-14(13)17/h3-9,15H,18H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 311.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).