N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine

C11H17ClN2O2 — CID 106505054

IUPACN-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ccc(OC)cn1
InChIInChI=1S/C11H17ClN2O2/c1-14(7-9(12)8-15-2)11-5-4-10(16-3)6-13-11/h4-6,9H,7-8H2,1-3H3
InChIKeyFFTCTGHSSKQVQJ-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.78
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine

N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine (PubChem CID 106505054) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
PubChem CID106505054
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ccc(OC)cn1
InChIInChI=1S/C11H17ClN2O2/c1-14(7-9(12)8-15-2)11-5-4-10(16-3)6-13-11/h4-6,9H,7-8H2,1-3H3
InChIKeyFFTCTGHSSKQVQJ-UHFFFAOYSA-N
XLogP1.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methoxy-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 106503674
4-N-(2-chloro-3-methoxypropyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64828548
N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
CID 106973714
5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
CID 80674574
3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 63390234
2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 63985535
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
2-[(5-methoxy-2-pyridinyl)-methylamino]-2-methylpropan-1-ol
CID 106504679
N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55184952
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine (CID 106505054) is N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine is COCC(Cl)CN(C)c1ccc(OC)cn1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine?
The InChIKey is FFTCTGHSSKQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-14(7-9(12)8-15-2)11-5-4-10(16-3)6-13-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine?
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine has a molecular weight of 244.72 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine is sourced from PubChem (CID 106505054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).