4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

C15H29NO2 — CID 114210473

IUPAC4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCOCCC(CO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H29NO2/c1-14(2)11-5-7-15(3,9-11)13(14)16-12(10-17)6-8-18-4/h11-13,16-17H,5-10H2,1-4H3/t11-,12?,13?,15+/m0/s1
InChIKeyCAWIBLOUEMYFAU-LFUGVXIPSA-N
MW255.40 g/mol
LogP2.19
Rot. Bonds6

About 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (PubChem CID 114210473) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
PubChem CID114210473
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCOCCC(CO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H29NO2/c1-14(2)11-5-7-15(3,9-11)13(14)16-12(10-17)6-8-18-4/h11-13,16-17H,5-10H2,1-4H3/t11-,12?,13?,15+/m0/s1
InChIKeyCAWIBLOUEMYFAU-LFUGVXIPSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol with MolForge

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Related Compounds

(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023685
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]pentanenitrile
CID 113302737
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
3-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]pentan-1-ol
CID 113302762
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (CID 114210473) is 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is COCCC(CO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The InChIKey is CAWIBLOUEMYFAU-LFUGVXIPSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)11-5-7-15(3,9-11)13(14)16-12(10-17)6-8-18-4/h11-13,16-17H,5-10H2,1-4H3/t11-,12?,13?,15+/m0/s1.
What are the key properties of 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is sourced from PubChem (CID 114210473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).