1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C17H26FN — CID 81028965

IUPAC1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-12(2)13-7-8-15(11-19-3)17(10-13)14-5-4-6-16(18)9-14/h4-6,9,12-13,15,17,19H,7-8,10-11H2,1-3H3
InChIKeyRRTUKHQMOCEALW-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 81028965) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID81028965
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-12(2)13-7-8-15(11-19-3)17(10-13)14-5-4-6-16(18)9-14/h4-6,9,12-13,15,17,19H,7-8,10-11H2,1-3H3
InChIKeyRRTUKHQMOCEALW-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 81028965) is 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is RRTUKHQMOCEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12(2)13-7-8-15(11-19-3)17(10-13)14-5-4-6-16(18)9-14/h4-6,9,12-13,15,17,19H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81028965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).