1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H23F2N — CID 63407873

IUPAC1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H23F2N/c1-10(2)15-5-4-11(3)9-16(15,19)12-6-13(17)8-14(18)7-12/h6-8,10-11,15H,4-5,9,19H2,1-3H3
InChIKeyPMRAGEKQRMKQON-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.21
Rot. Bonds2

About 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 63407873) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID63407873
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H23F2N/c1-10(2)15-5-4-11(3)9-16(15,19)12-6-13(17)8-14(18)7-12/h6-8,10-11,15H,4-5,9,19H2,1-3H3
InChIKeyPMRAGEKQRMKQON-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 63407873) is 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is PMRAGEKQRMKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10(2)15-5-4-11(3)9-16(15,19)12-6-13(17)8-14(18)7-12/h6-8,10-11,15H,4-5,9,19H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).