2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine

C12H17ClN2O — CID 103768427

IUPAC2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-6-16-7-4-10)15-11-2-5-14-12(13)8-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyYNNPSENMFCOROK-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine

2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine (PubChem CID 103768427) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
PubChem CID103768427
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-6-16-7-4-10)15-11-2-5-14-12(13)8-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyYNNPSENMFCOROK-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637
2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
CID 103721807
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
3-chloro-N-[1-(oxolan-3-yl)ethyl]-4-propoxyaniline
CID 115917798
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine (CID 103768427) is 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine is CC(Nc1ccnc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine?
The InChIKey is YNNPSENMFCOROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(10-3-6-16-7-4-10)15-11-2-5-14-12(13)8-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine?
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine has a molecular weight of 240.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103768427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).