N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine

C12H19ClN2O — CID 115776636

IUPACN-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O/c1-3-16-8-4-7-14-10(2)11-5-6-12(13)15-9-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyNVQRFGWLXCCFHF-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.81
Rot. Bonds7

About N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine

N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 115776636) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
PubChem CID115776636
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O/c1-3-16-8-4-7-14-10(2)11-5-6-12(13)15-9-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyNVQRFGWLXCCFHF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine (CID 115776636) is N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNC(C)c1ccc(Cl)nc1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is NVQRFGWLXCCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-16-8-4-7-14-10(2)11-5-6-12(13)15-9-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine?
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 242.75 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 115776636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).