N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine

C17H25F2N — CID 107514752

IUPACN-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCc1ccc(C2CCCCC2CNC(C)C)c(F)c1F
InChIInChI=1S/C17H25F2N/c1-11(2)20-10-13-6-4-5-7-14(13)15-9-8-12(3)16(18)17(15)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3
InChIKeySQMJNCVSSXGJEV-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.55
Rot. Bonds4

About N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 107514752) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID107514752
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCc1ccc(C2CCCCC2CNC(C)C)c(F)c1F
InChIInChI=1S/C17H25F2N/c1-11(2)20-10-13-6-4-5-7-14(13)15-9-8-12(3)16(18)17(15)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3
InChIKeySQMJNCVSSXGJEV-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine (CID 107514752) is N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine is Cc1ccc(C2CCCCC2CNC(C)C)c(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is SQMJNCVSSXGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11(2)20-10-13-6-4-5-7-14(13)15-9-8-12(3)16(18)17(15)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3.
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 281.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 107514752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).