N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine

C13H18ClFN2 — CID 115695883

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2F)C1
InChIInChI=1S/C13H18ClFN2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeyBMIFAJORAZCDPK-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.66
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine

N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 115695883) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID115695883
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2F)C1
InChIInChI=1S/C13H18ClFN2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeyBMIFAJORAZCDPK-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine (CID 115695883) is N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine is CN1CCCC(NCc2cccc(Cl)c2F)C1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is BMIFAJORAZCDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 256.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 115695883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).