[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol

C17H26FNO — CID 79137949

IUPAC[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
SMILESCC(C)C1CCC(CN)(C(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3
InChIKeyLBRGMKOXPZXMOQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.65
Rot. Bonds4

About [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol

[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol (PubChem CID 79137949) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
PubChem CID79137949
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
SMILESCC(C)C1CCC(CN)(C(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3
InChIKeyLBRGMKOXPZXMOQ-UHFFFAOYSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol (CID 79137949) is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol is CC(C)C1CCC(CN)(C(O)c2cccc(F)c2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol?
The InChIKey is LBRGMKOXPZXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol?
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol has a molecular weight of 279.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol is sourced from PubChem (CID 79137949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).