N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine

C17H25F2N — CID 65083844

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-3-13-5-4-6-15(9-7-13)20-12(2)14-8-10-16(18)17(19)11-14/h8,10-13,15,20H,3-7,9H2,1-2H3
InChIKeyXNWHDNPSJPAOCE-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.97
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine (PubChem CID 65083844) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
PubChem CID65083844
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-3-13-5-4-6-15(9-7-13)20-12(2)14-8-10-16(18)17(19)11-14/h8,10-13,15,20H,3-7,9H2,1-2H3
InChIKeyXNWHDNPSJPAOCE-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
CID 29038955
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
CID 29038584
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine (CID 65083844) is N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NC(C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine?
The InChIKey is XNWHDNPSJPAOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-13-5-4-6-15(9-7-13)20-12(2)14-8-10-16(18)17(19)11-14/h8,10-13,15,20H,3-7,9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65083844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).