2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol

C16H26N2O2 — CID 78916438

IUPAC2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cccc(CNCC(C)N2CCCC2)c1O
InChIInChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)12-17-11-13(2)18-9-4-5-10-18/h6-8,13,17,19H,3-5,9-12H2,1-2H3
InChIKeyDZSKILGXCHVZFT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds7

About 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol

2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (PubChem CID 78916438) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
PubChem CID78916438
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cccc(CNCC(C)N2CCCC2)c1O
InChIInChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)12-17-11-13(2)18-9-4-5-10-18/h6-8,13,17,19H,3-5,9-12H2,1-2H3
InChIKeyDZSKILGXCHVZFT-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

N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 61011125
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (CID 78916438) is 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is CCOc1cccc(CNCC(C)N2CCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The InChIKey is DZSKILGXCHVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)12-17-11-13(2)18-9-4-5-10-18/h6-8,13,17,19H,3-5,9-12H2,1-2H3.
What are the key properties of 2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)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-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 78916438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).