N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine

C16H25FN2 — CID 43614150

IUPACN-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
SMILESCC(N)c1c(F)cccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H25FN2/c1-12(18)16-14(17)10-7-11-15(16)19(2)13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9,18H2,1-2H3
InChIKeyAVNHVCALSOGNGG-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.00
Rot. Bonds3

About N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine

N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine (PubChem CID 43614150) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
PubChem CID43614150
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
SMILESCC(N)c1c(F)cccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H25FN2/c1-12(18)16-14(17)10-7-11-15(16)19(2)13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9,18H2,1-2H3
InChIKeyAVNHVCALSOGNGG-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine (CID 43614150) is N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine is CC(N)c1c(F)cccc1N(C)C1CCCCCC1.
What is the InChIKey of N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
The InChIKey is AVNHVCALSOGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(18)16-14(17)10-7-11-15(16)19(2)13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9,18H2,1-2H3.
What are the key properties of N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine?
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine has a molecular weight of 264.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43614150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).