4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine

C17H26FN — CID 81380737

IUPAC4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1
InChIKeyUUWVYLHGOKMYRF-WLYUNCDWSA-N
MW263.40 g/mol
LogP4.84
Rot. Bonds4

About 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine

4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine (PubChem CID 81380737) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
PubChem CID81380737
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1
InChIKeyUUWVYLHGOKMYRF-WLYUNCDWSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine (CID 81380737) is 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine is CCC1CCCC(N[C@H](C)c2ccccc2F)CC1.
What is the InChIKey of 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine?
The InChIKey is UUWVYLHGOKMYRF-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-14-7-6-8-15(12-11-14)19-13(2)16-9-4-5-10-17(16)18/h4-5,9-10,13-15,19H,3,6-8,11-12H2,1-2H3/t13-,14?,15?/m1/s1.
What are the key properties of 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine?
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 81380737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).