N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine

C14H20ClFN2 — CID 106622977

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
SMILESCN(Cc1cccc(Cl)c1F)CC1CCCCN1
InChIInChI=1S/C14H20ClFN2/c1-18(10-12-6-2-3-8-17-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLFOPUQXFFYSORC-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine

N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine (PubChem CID 106622977) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
PubChem CID106622977
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
SMILESCN(Cc1cccc(Cl)c1F)CC1CCCCN1
InChIInChI=1S/C14H20ClFN2/c1-18(10-12-6-2-3-8-17-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLFOPUQXFFYSORC-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-(isoquinolin-4-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602512
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine (CID 106622977) is N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine is CN(Cc1cccc(Cl)c1F)CC1CCCCN1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The InChIKey is LFOPUQXFFYSORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-18(10-12-6-2-3-8-17-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12,17H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 4 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]-N-methyl-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106622977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).