N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine

C16H23F2N — CID 43709409

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2N/c1-3-12-6-4-5-7-16(12)19-11(2)14-10-13(17)8-9-15(14)18/h8-12,16,19H,3-7H2,1-2H3
InChIKeyAJWNNZNFWKOJLV-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.58
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine (PubChem CID 43709409) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
PubChem CID43709409
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2N/c1-3-12-6-4-5-7-16(12)19-11(2)14-10-13(17)8-9-15(14)18/h8-12,16,19H,3-7H2,1-2H3
InChIKeyAJWNNZNFWKOJLV-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103784951
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine (CID 43709409) is N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine?
The InChIKey is AJWNNZNFWKOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-12-6-4-5-7-16(12)19-11(2)14-10-13(17)8-9-15(14)18/h8-12,16,19H,3-7H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 43709409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).