1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol

C14H29FN2O2 — CID 59736317

IUPAC1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol
SMILESCC1(C)CC(N)CC(C)(CNCC(O)COCF)C1
InChIInChI=1S/C14H29FN2O2/c1-13(2)4-11(16)5-14(3,8-13)9-17-6-12(18)7-19-10-15/h11-12,17-18H,4-10,16H2,1-3H3
InChIKeyXTEREYUNXRIHQP-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.42
Rot. Bonds7

About 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol

1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol (PubChem CID 59736317) has the molecular formula C14H29FN2O2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol
PubChem CID59736317
Molecular FormulaC14H29FN2O2
Molecular Weight276.40 g/mol
Exact Mass276.22
IUPAC Name1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol
SMILESCC1(C)CC(N)CC(C)(CNCC(O)COCF)C1
InChIInChI=1S/C14H29FN2O2/c1-13(2)4-11(16)5-14(3,8-13)9-17-6-12(18)7-19-10-15/h11-12,17-18H,4-10,16H2,1-3H3
InChIKeyXTEREYUNXRIHQP-UHFFFAOYSA-N
XLogP1.42
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol?
The IUPAC name of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol (CID 59736317) is 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol?
The canonical SMILES for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol is CC1(C)CC(N)CC(C)(CNCC(O)COCF)C1.
What is the InChIKey of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol?
The InChIKey is XTEREYUNXRIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O2/c1-13(2)4-11(16)5-14(3,8-13)9-17-6-12(18)7-19-10-15/h11-12,17-18H,4-10,16H2,1-3H3.
What are the key properties of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol?
1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol has a molecular weight of 276.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol is sourced from PubChem (CID 59736317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).