N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine

C15H21F2N — CID 43216007

IUPACN-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N/c1-11(13-7-8-14(16)15(17)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyAZAZMSMDJVPSBX-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.20
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine

N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine (PubChem CID 43216007) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
PubChem CID43216007
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N/c1-11(13-7-8-14(16)15(17)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyAZAZMSMDJVPSBX-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine (CID 43216007) is N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine is CC(NCC1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is AZAZMSMDJVPSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(13-7-8-14(16)15(17)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine?
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).