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

C16H19ClN2O — CID 133374084

IUPAC2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
SMILESCC(C)Oc1cccc(C(C)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-15-6-4-5-13(9-15)12(3)19-14-7-8-18-16(17)10-14/h4-12H,1-3H3,(H,18,19)
InChIKeyDRLPRBPPJNHWKX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.70
Rot. Bonds5

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

2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine (PubChem CID 133374084) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
PubChem CID133374084
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
SMILESCC(C)Oc1cccc(C(C)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-15-6-4-5-13(9-15)12(3)19-14-7-8-18-16(17)10-14/h4-12H,1-3H3,(H,18,19)
InChIKeyDRLPRBPPJNHWKX-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.70
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-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
CID 124574045
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
CID 133374158
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
3-butan-2-yloxy-N-[1-(3-chlorophenyl)ethyl]aniline
CID 63476598
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine (CID 133374084) is 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine is CC(C)Oc1cccc(C(C)Nc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine?
The InChIKey is DRLPRBPPJNHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-15-6-4-5-13(9-15)12(3)19-14-7-8-18-16(17)10-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine?
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine has a molecular weight of 290.79 g/mol, XLogP of 4.70, 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-propan-2-yloxyphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133374084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).