3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol

C12H19ClN2O — CID 115723050

IUPAC3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-11(5-7-16)15-9(2)10-4-6-14-12(13)8-10/h4,6,8-9,11,15-16H,3,5,7H2,1-2H3
InChIKeyKUTXPEXQDNIJNK-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.55
Rot. Bonds6

About 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol

3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol (PubChem CID 115723050) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol
PubChem CID115723050
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-11(5-7-16)15-9(2)10-4-6-14-12(13)8-10/h4,6,8-9,11,15-16H,3,5,7H2,1-2H3
InChIKeyKUTXPEXQDNIJNK-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 115879368
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
N-[1-(2-chloro-4-pyridinyl)ethyl]pentan-1-amine
CID 115705766
3-[1-(2-chloro-4-pyridinyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115894976
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
(3R)-3-(2-chloro-4-pyridinyl)-3-(cyclopropylamino)propan-1-ol
CID 97169743
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
CID 166201286
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol?
The IUPAC name of 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol (CID 115723050) is 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol is CCC(CCO)NC(C)c1ccnc(Cl)c1.
What is the InChIKey of 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol?
The InChIKey is KUTXPEXQDNIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-11(5-7-16)15-9(2)10-4-6-14-12(13)8-10/h4,6,8-9,11,15-16H,3,5,7H2,1-2H3.
What are the key properties of 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol?
3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115723050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).