2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol

C17H26N2O2 — CID 106604519

IUPAC2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
SMILESCC(c1cc(O)ccc1O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C17H26N2O2/c1-12(16-9-15(20)6-7-17(16)21)19(10-13-4-5-13)11-14-3-2-8-18-14/h6-7,9,12-14,18,20-21H,2-5,8,10-11H2,1H3
InChIKeyCOWPHZZZHWUCRU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds6

About 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol

2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol (PubChem CID 106604519) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
PubChem CID106604519
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
SMILESCC(c1cc(O)ccc1O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C17H26N2O2/c1-12(16-9-15(20)6-7-17(16)21)19(10-13-4-5-13)11-14-3-2-8-18-14/h6-7,9,12-14,18,20-21H,2-5,8,10-11H2,1H3
InChIKeyCOWPHZZZHWUCRU-UHFFFAOYSA-N
XLogP2.62
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
1-(4-bromo-2-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604340
4-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 106602925
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol (CID 106604519) is 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol is CC(c1cc(O)ccc1O)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol?
The InChIKey is COWPHZZZHWUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(16-9-15(20)6-7-17(16)21)19(10-13-4-5-13)11-14-3-2-8-18-14/h6-7,9,12-14,18,20-21H,2-5,8,10-11H2,1H3.
What are the key properties of 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol?
2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol has a molecular weight of 290.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 106604519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).