1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine

C16H23ClFN — CID 102621851

IUPAC1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFN/c1-19-11-13-6-4-2-3-5-12(13)9-14-10-15(18)7-8-16(14)17/h7-8,10,12-13,19H,2-6,9,11H2,1H3
InChIKeyMSXAZIGNIOQXKX-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine

1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine (PubChem CID 102621851) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
PubChem CID102621851
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFN/c1-19-11-13-6-4-2-3-5-12(13)9-14-10-15(18)7-8-16(14)17/h7-8,10,12-13,19H,2-6,9,11H2,1H3
InChIKeyMSXAZIGNIOQXKX-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 102621866

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine (CID 102621851) is 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The InChIKey is MSXAZIGNIOQXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-19-11-13-6-4-2-3-5-12(13)9-14-10-15(18)7-8-16(14)17/h7-8,10,12-13,19H,2-6,9,11H2,1H3.
What are the key properties of 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 102621851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).