2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine

C16H16ClFN2 — CID 65483337

IUPAC2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H16ClFN2/c1-10-8-9-19-16(17)14(10)20-15(11-2-3-11)12-4-6-13(18)7-5-12/h4-9,11,15,20H,2-3H2,1H3
InChIKeyYGWVMRMDILCHGN-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 65483337) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
PubChem CID65483337
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H16ClFN2/c1-10-8-9-19-16(17)14(10)20-15(11-2-3-11)12-4-6-13(18)7-5-12/h4-9,11,15,20H,2-3H2,1H3
InChIKeyYGWVMRMDILCHGN-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448207
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
CID 65484915
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine (CID 65483337) is 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is YGWVMRMDILCHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-10-8-9-19-16(17)14(10)20-15(11-2-3-11)12-4-6-13(18)7-5-12/h4-9,11,15,20H,2-3H2,1H3.
What are the key properties of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 290.77 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65483337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).