3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine

C12H19ClN2O — CID 79839685

IUPAC3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
SMILESCC(C)CCOCCNc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-10(2)4-7-16-8-6-15-12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8H2,1-2H3,(H,14,15)
InChIKeyYDYXSMDTWWQNQU-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.21
Rot. Bonds7

About 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine

3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine (PubChem CID 79839685) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
PubChem CID79839685
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
SMILESCC(C)CCOCCNc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-10(2)4-7-16-8-6-15-12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8H2,1-2H3,(H,14,15)
InChIKeyYDYXSMDTWWQNQU-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
2-chloro-6-[2-(3-methylbutoxy)ethylamino]benzenecarbothioamide
CID 55079469
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
5,7-dichloro-N-[2-(3-methylbutoxy)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474670
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine (CID 79839685) is 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine is CC(C)CCOCCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine?
The InChIKey is YDYXSMDTWWQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-10(2)4-7-16-8-6-15-12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine?
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine is sourced from PubChem (CID 79839685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).