N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine

C17H25ClFN — CID 103042344

IUPACN-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H25ClFN/c1-2-20-12-15-7-5-3-4-6-14(15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3
InChIKeyRCAVGTMXBCJRCW-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds5

About N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine

N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 103042344) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID103042344
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H25ClFN/c1-2-20-12-15-7-5-3-4-6-14(15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3
InChIKeyRCAVGTMXBCJRCW-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81027505
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-[(4-chloro-3-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 107889433
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine (CID 103042344) is N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is RCAVGTMXBCJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-20-12-15-7-5-3-4-6-14(15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3.
What are the key properties of N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine?
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 103042344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).