2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine

C15H17ClN2O — CID 133360412

IUPAC2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
SMILESCCOc1cccc(C(C)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-3-19-14-6-4-5-12(9-14)11(2)18-13-7-8-17-15(16)10-13/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyKMXBVPFOPQXWDL-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine

2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine (PubChem CID 133360412) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
PubChem CID133360412
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
SMILESCCOc1cccc(C(C)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-3-19-14-6-4-5-12(9-14)11(2)18-13-7-8-17-15(16)10-13/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyKMXBVPFOPQXWDL-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.31
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

2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
CID 133374084
4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
CID 124574045
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
CID 133373348
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
CID 133374158
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine (CID 133360412) is 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine is CCOc1cccc(C(C)Nc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine?
The InChIKey is KMXBVPFOPQXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-19-14-6-4-5-12(9-14)11(2)18-13-7-8-17-15(16)10-13/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine?
2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133360412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).