4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol

C16H26N2O — CID 115494201

IUPAC4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCN1CCC(CNC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-3-18-9-8-15(12-18)11-17-13(2)10-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyUSFZYUWZOMJXMJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.25
Rot. Bonds6

About 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol

4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol (PubChem CID 115494201) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
PubChem CID115494201
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCN1CCC(CNC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-3-18-9-8-15(12-18)11-17-13(2)10-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyUSFZYUWZOMJXMJ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
1-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 84588050
(2S)-1-(4-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 97230283
4-[2-(oxolan-3-ylmethylamino)propyl]phenol
CID 115494210
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
4-[(3S)-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methylamino]butyl]phenol
CID 99640383
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298561

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol (CID 115494201) is 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol is CCN1CCC(CNC(C)Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The InChIKey is USFZYUWZOMJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18-9-8-15(12-18)11-17-13(2)10-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3.
What are the key properties of 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol is sourced from PubChem (CID 115494201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).