N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine

C17H25F2N — CID 81028870

IUPACN-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1Cc1cccc(F)c1F
InChIInChI=1S/C17H25F2N/c1-2-10-20-12-15-7-4-3-6-13(15)11-14-8-5-9-16(18)17(14)19/h5,8-9,13,15,20H,2-4,6-7,10-12H2,1H3
InChIKeyGJFRMUBWVBVYFD-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.31
Rot. Bonds6

About N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine

N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81028870) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81028870
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1Cc1cccc(F)c1F
InChIInChI=1S/C17H25F2N/c1-2-10-20-12-15-7-4-3-6-13(15)11-14-8-5-9-16(18)17(14)19/h5,8-9,13,15,20H,2-4,6-7,10-12H2,1H3
InChIKeyGJFRMUBWVBVYFD-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034707
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine (CID 81028870) is N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1Cc1cccc(F)c1F.
What is the InChIKey of N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is GJFRMUBWVBVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-2-10-20-12-15-7-4-3-6-13(15)11-14-8-5-9-16(18)17(14)19/h5,8-9,13,15,20H,2-4,6-7,10-12H2,1H3.
What are the key properties of N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81028870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).