N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine

C17H23F2N — CID 82930846

IUPACN-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCCCC2)cc1F
InChIInChI=1S/C17H23F2N/c18-15-7-4-13(10-16(15)19)11-17(8-2-1-3-9-17)12-20-14-5-6-14/h4,7,10,14,20H,1-3,5-6,8-9,11-12H2
InChIKeyXOTLIEKXPWFQBJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.21
Rot. Bonds5

About N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 82930846) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID82930846
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCCCC2)cc1F
InChIInChI=1S/C17H23F2N/c18-15-7-4-13(10-16(15)19)11-17(8-2-1-3-9-17)12-20-14-5-6-14/h4,7,10,14,20H,1-3,5-6,8-9,11-12H2
InChIKeyXOTLIEKXPWFQBJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 107897555
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 82930846) is N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine is Fc1ccc(CC2(CNC3CC3)CCCCC2)cc1F.
What is the InChIKey of N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is XOTLIEKXPWFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c18-15-7-4-13(10-16(15)19)11-17(8-2-1-3-9-17)12-20-14-5-6-14/h4,7,10,14,20H,1-3,5-6,8-9,11-12H2.
What are the key properties of N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 279.37 g/mol, XLogP of 4.21, 5 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)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 82930846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).