(3-chloro-2-propoxy-4-pyridinyl)methanamine

C9H13ClN2O — CID 107056050

IUPAC(3-chloro-2-propoxy-4-pyridinyl)methanamine
SMILESCCCOc1nccc(CN)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-2-5-13-9-8(10)7(6-11)3-4-12-9/h3-4H,2,5-6,11H2,1H3
InChIKeyIJNHOUNASSQQBS-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.98
Rot. Bonds4

About (3-chloro-2-propoxy-4-pyridinyl)methanamine

(3-chloro-2-propoxy-4-pyridinyl)methanamine (PubChem CID 107056050) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (3-chloro-2-propoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-propoxy-4-pyridinyl)methanamine
PubChem CID107056050
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(3-chloro-2-propoxy-4-pyridinyl)methanamine
SMILESCCCOc1nccc(CN)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-2-5-13-9-8(10)7(6-11)3-4-12-9/h3-4H,2,5-6,11H2,1H3
InChIKeyIJNHOUNASSQQBS-UHFFFAOYSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
4-(aminomethyl)-3-chloro-N-methylpyridin-2-amine
CID 107055424
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
3-propoxypyrazin-2-amine
CID 102987993
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-propoxy-4-pyridinyl)methanamine?
The IUPAC name of (3-chloro-2-propoxy-4-pyridinyl)methanamine (CID 107056050) is (3-chloro-2-propoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-2-propoxy-4-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-2-propoxy-4-pyridinyl)methanamine is CCCOc1nccc(CN)c1Cl.
What is the InChIKey of (3-chloro-2-propoxy-4-pyridinyl)methanamine?
The InChIKey is IJNHOUNASSQQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-5-13-9-8(10)7(6-11)3-4-12-9/h3-4H,2,5-6,11H2,1H3.
What are the key properties of (3-chloro-2-propoxy-4-pyridinyl)methanamine?
(3-chloro-2-propoxy-4-pyridinyl)methanamine has a molecular weight of 200.67 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-propoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 107056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).