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

C17H21ClN2O2 — CID 133374158

IUPAC2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
SMILESCCCOc1ccc(C(C)Nc2ccnc(Cl)c2)cc1OC
InChIInChI=1S/C17H21ClN2O2/c1-4-9-22-15-6-5-13(10-16(15)21-3)12(2)20-14-7-8-19-17(18)11-14/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)
InChIKeyOYFWIZFBQAZGEA-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.71
Rot. Bonds7

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

2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine (PubChem CID 133374158) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
PubChem CID133374158
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
SMILESCCCOc1ccc(C(C)Nc2ccnc(Cl)c2)cc1OC
InChIInChI=1S/C17H21ClN2O2/c1-4-9-22-15-6-5-13(10-16(15)21-3)12(2)20-14-7-8-19-17(18)11-14/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)
InChIKeyOYFWIZFBQAZGEA-UHFFFAOYSA-N
XLogP4.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 133270581
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
3-chloro-N-(1-phenylethyl)-4-propoxyaniline
CID 63451288
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339
2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
CID 133373348
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
CID 133374084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine (CID 133374158) is 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine is CCCOc1ccc(C(C)Nc2ccnc(Cl)c2)cc1OC.
What is the InChIKey of 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine?
The InChIKey is OYFWIZFBQAZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-4-9-22-15-6-5-13(10-16(15)21-3)12(2)20-14-7-8-19-17(18)11-14/h5-8,10-12H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine?
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine has a molecular weight of 320.82 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133374158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).