N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine

C17H27FN2 — CID 43614292

IUPACN-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
SMILESCCNCc1ccc(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(2)15-8-6-4-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3
InChIKeyFDUKIUOVBODNCZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.09
Rot. Bonds5

About N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine

N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine (PubChem CID 43614292) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
PubChem CID43614292
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
SMILESCCNCc1ccc(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(2)15-8-6-4-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3
InChIKeyFDUKIUOVBODNCZ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine (CID 43614292) is N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine is CCNCc1ccc(N(C)C2CCCCCC2)c(F)c1.
What is the InChIKey of N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine?
The InChIKey is FDUKIUOVBODNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(2)15-8-6-4-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3.
What are the key properties of N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine?
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine has a molecular weight of 278.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43614292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).