N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine

C13H18ClFN2 — CID 65028300

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
SMILESCC1CCCC(CCl)(Nc2ccc(F)cn2)C1
InChIInChI=1S/C13H18ClFN2/c1-10-3-2-6-13(7-10,9-14)17-12-5-4-11(15)8-16-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCONBFJNSESMVMP-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine

N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine (PubChem CID 65028300) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
PubChem CID65028300
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
SMILESCC1CCCC(CCl)(Nc2ccc(F)cn2)C1
InChIInChI=1S/C13H18ClFN2/c1-10-3-2-6-13(7-10,9-14)17-12-5-4-11(15)8-16-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCONBFJNSESMVMP-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)-3-methylcyclohexyl]pyrimidin-4-amine
CID 65028660
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65028454
N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine
CID 130847366
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-ethoxypyrimidin-4-amine
CID 66333581
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-methoxypyrimidin-4-amine
CID 66317642
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
CID 65032875
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylsulfonylaniline
CID 65028605

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine (CID 65028300) is N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine is CC1CCCC(CCl)(Nc2ccc(F)cn2)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine?
The InChIKey is CONBFJNSESMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-10-3-2-6-13(7-10,9-14)17-12-5-4-11(15)8-16-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine?
N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine has a molecular weight of 256.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 65028300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).