1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C15H22ClFN2 — CID 102615902

IUPAC1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C15H22ClFN2/c1-19(2)15(7-3-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyMIVOHTFDJKFDMA-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds5

About 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 102615902) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID102615902
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C15H22ClFN2/c1-19(2)15(7-3-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyMIVOHTFDJKFDMA-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416512
1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115967895
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102615607
2-[1-[(2-chloro-5-fluorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 102616854
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 102615902) is 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2cc(F)ccc2Cl)CCCC1.
What is the InChIKey of 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is MIVOHTFDJKFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-19(2)15(7-3-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 102615902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).