1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine

C16H23ClFN — CID 102864464

IUPAC1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-19-11-14-7-4-2-3-6-12(14)10-13-8-5-9-15(17)16(13)18/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3
InChIKeyWPLWLVFDIVFKMU-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine

1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine (PubChem CID 102864464) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
PubChem CID102864464
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-19-11-14-7-4-2-3-6-12(14)10-13-8-5-9-15(17)16(13)18/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3
InChIKeyWPLWLVFDIVFKMU-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

1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 114935178
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine (CID 102864464) is 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
The InChIKey is WPLWLVFDIVFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-19-11-14-7-4-2-3-6-12(14)10-13-8-5-9-15(17)16(13)18/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3.
What are the key properties of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine?
1-[2-[(3-chloro-2-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-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 102864464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).