3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol

C12H25FN2O — CID 88571724

IUPAC3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol
SMILESNCC1CCC(N(CCF)CCCO)CC1
InChIInChI=1S/C12H25FN2O/c13-6-8-15(7-1-9-16)12-4-2-11(10-14)3-5-12/h11-12,16H,1-10,14H2
InChIKeyLGGGQTCKCNMXHW-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.16
Rot. Bonds7

About 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol

3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol (PubChem CID 88571724) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol
PubChem CID88571724
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Name3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol
SMILESNCC1CCC(N(CCF)CCCO)CC1
InChIInChI=1S/C12H25FN2O/c13-6-8-15(7-1-9-16)12-4-2-11(10-14)3-5-12/h11-12,16H,1-10,14H2
InChIKeyLGGGQTCKCNMXHW-UHFFFAOYSA-N
XLogP1.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol with MolForge

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Related Compounds

1-[[4-(2-Aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
CID 70905293
3-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64754234
3-[[2-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64757056
3-[[3-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758793
4-[[4-(Trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 64912582
2-Methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65031657
2-Methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65034390
2-Methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65037073
2,2-Dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 81412334
3-[[4-(Trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 83177142
2,2-Difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 102609819
3-[(4,4-Difluorocyclohexyl)methylamino]propan-1-ol
CID 104421818

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol (CID 88571724) is 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol is NCC1CCC(N(CCF)CCCO)CC1.
What is the InChIKey of 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol?
The InChIKey is LGGGQTCKCNMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c13-6-8-15(7-1-9-16)12-4-2-11(10-14)3-5-12/h11-12,16H,1-10,14H2.
What are the key properties of 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol?
3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 88571724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).