N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine

C17H24FN — CID 43763457

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3
InChIKeyZNSBRASUISGGNF-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.45
Rot. Bonds4

About N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 43763457) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID43763457
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3
InChIKeyZNSBRASUISGGNF-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine (CID 43763457) is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is ZNSBRASUISGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43763457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).