4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol

C19H29NO2 — CID 138475667

IUPAC4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol
SMILESCC1CC2CC(C)CC(NCC(O)c3ccc(O)cc3)(C1)C2
InChIInChI=1S/C19H29NO2/c1-13-7-15-8-14(2)10-19(9-13,11-15)20-12-18(22)16-3-5-17(21)6-4-16/h3-6,13-15,18,20-22H,7-12H2,1-2H3
InChIKeyQRLCFFRUROOBPF-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.62
Rot. Bonds4

About 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol

4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol (PubChem CID 138475667) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol
PubChem CID138475667
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol
SMILESCC1CC2CC(C)CC(NCC(O)c3ccc(O)cc3)(C1)C2
InChIInChI=1S/C19H29NO2/c1-13-7-15-8-14(2)10-19(9-13,11-15)20-12-18(22)16-3-5-17(21)6-4-16/h3-6,13-15,18,20-22H,7-12H2,1-2H3
InChIKeyQRLCFFRUROOBPF-UHFFFAOYSA-N
XLogP3.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol (CID 138475667) is 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol is CC1CC2CC(C)CC(NCC(O)c3ccc(O)cc3)(C1)C2.
What is the InChIKey of 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol?
The InChIKey is QRLCFFRUROOBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13-7-15-8-14(2)10-19(9-13,11-15)20-12-18(22)16-3-5-17(21)6-4-16/h3-6,13-15,18,20-22H,7-12H2,1-2H3.
What are the key properties of 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol?
4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol has a molecular weight of 303.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 138475667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).