N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine

C13H18ClFN2 — CID 115118414

IUPACN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cc(Cl)c(CNC2CCNCC2)cc1F
InChIInChI=1S/C13H18ClFN2/c1-9-6-12(14)10(7-13(9)15)8-17-11-2-4-16-5-3-11/h6-7,11,16-17H,2-5,8H2,1H3
InChIKeyPZOHVCCBRCFIBI-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.63
Rot. Bonds3

About N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 115118414) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
PubChem CID115118414
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cc(Cl)c(CNC2CCNCC2)cc1F
InChIInChI=1S/C13H18ClFN2/c1-9-6-12(14)10(7-13(9)15)8-17-11-2-4-16-5-3-11/h6-7,11,16-17H,2-5,8H2,1H3
InChIKeyPZOHVCCBRCFIBI-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
CID 171815594
N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
CID 82781872
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 117045174
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
CID 116927908
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine (CID 115118414) is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine is Cc1cc(Cl)c(CNC2CCNCC2)cc1F.
What is the InChIKey of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is PZOHVCCBRCFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-6-12(14)10(7-13(9)15)8-17-11-2-4-16-5-3-11/h6-7,11,16-17H,2-5,8H2,1H3.
What are the key properties of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine?
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 256.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 115118414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).