2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

C16H26N2O2 — CID 106603811

IUPAC2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(OC)c1O)CC1CCCN1
InChIInChI=1S/C16H26N2O2/c1-3-10-18(12-14-7-5-9-17-14)11-13-6-4-8-15(20-2)16(13)19/h4,6,8,14,17,19H,3,5,7,9-12H2,1-2H3
InChIKeySIFBPPWCEJGZPZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds7

About 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (PubChem CID 106603811) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
PubChem CID106603811
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(OC)c1O)CC1CCCN1
InChIInChI=1S/C16H26N2O2/c1-3-10-18(12-14-7-5-9-17-14)11-13-6-4-8-15(20-2)16(13)19/h4,6,8,14,17,19H,3,5,7,9-12H2,1-2H3
InChIKeySIFBPPWCEJGZPZ-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
N-[(2-methyl-3-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615844
2-methoxy-4-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106792877
2-hydroxy-3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607936

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (CID 106603811) is 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is CCCN(Cc1cccc(OC)c1O)CC1CCCN1.
What is the InChIKey of 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is SIFBPPWCEJGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-18(12-14-7-5-9-17-14)11-13-6-4-8-15(20-2)16(13)19/h4,6,8,14,17,19H,3,5,7,9-12H2,1-2H3.
What are the key properties of 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 106603811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).