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

C15H17ClN2O — CID 43782408

IUPAC2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
SMILESCC(C)Oc1ccc(CNc2cccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-11(2)19-13-7-5-12(6-8-13)10-18-14-4-3-9-17-15(14)16/h3-9,11,18H,10H2,1-2H3
InChIKeyRIGWBWIRJJZKOL-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.13
Rot. Bonds5

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

2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine (PubChem CID 43782408) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
PubChem CID43782408
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
SMILESCC(C)Oc1ccc(CNc2cccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-11(2)19-13-7-5-12(6-8-13)10-18-14-4-3-9-17-15(14)16/h3-9,11,18H,10H2,1-2H3
InChIKeyRIGWBWIRJJZKOL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
2-bromo-5-chloro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 81264088
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62699532
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
4-chloro-2-[(4-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780519
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine (CID 43782408) is 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine is CC(C)Oc1ccc(CNc2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The InChIKey is RIGWBWIRJJZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(2)19-13-7-5-12(6-8-13)10-18-14-4-3-9-17-15(14)16/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43782408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).