3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine

C15H21ClFN — CID 107888168

IUPAC3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-18-13-5-3-2-4-11(9-13)8-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeyKQJMSWMYQZDNHK-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds3

About 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine

3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 107888168) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
PubChem CID107888168
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-18-13-5-3-2-4-11(9-13)8-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeyKQJMSWMYQZDNHK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
CID 107888265
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]cycloheptene
CID 107888317
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
CID 107897027
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine (CID 107888168) is 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine is CNC1CCCCC(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is KQJMSWMYQZDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-13-5-3-2-4-11(9-13)8-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine?
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 107888168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).