[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine

C17H26FN — CID 81012992

IUPAC[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H26FN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3
InChIKeyNMDDDTZZOWMKBB-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.16
Rot. Bonds5

About [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine

[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 81012992) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID81012992
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H26FN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3
InChIKeyNMDDDTZZOWMKBB-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine (CID 81012992) is [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is NMDDDTZZOWMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine?
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81012992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).