N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine

C12H19ClN2O2 — CID 106154134

IUPACN-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NC(CCCl)COC
InChIInChI=1S/C12H19ClN2O2/c1-3-17-11-5-4-8-14-12(11)15-10(6-7-13)9-16-2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyVTQPCTMTBSTZSK-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.54
Rot. Bonds8

About N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine

N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine (PubChem CID 106154134) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
PubChem CID106154134
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NC(CCCl)COC
InChIInChI=1S/C12H19ClN2O2/c1-3-17-11-5-4-8-14-12(11)15-10(6-7-13)9-16-2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyVTQPCTMTBSTZSK-UHFFFAOYSA-N
XLogP2.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114150906
N-(1-methoxypentan-2-yl)-3-propan-2-yloxypyridin-2-amine
CID 113370944
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
CID 106154077
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)isoquinolin-1-amine
CID 106153795
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
CID 106153817
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrazin-2-one
CID 106154188
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
1-tert-butyl-3-[(4-chloro-1-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114150934

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine (CID 106154134) is N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine is CCOc1cccnc1NC(CCCl)COC.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine?
The InChIKey is VTQPCTMTBSTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-3-17-11-5-4-8-14-12(11)15-10(6-7-13)9-16-2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine?
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine is sourced from PubChem (CID 106154134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).