3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol

C19H24N2O — CID 82045257

IUPAC3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESOc1cccc(CNCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H24N2O/c22-18-10-6-7-16(13-18)14-20-15-19(21-11-4-5-12-21)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,22H,4-5,11-12,14-15H2
InChIKeyPWPGDJGNJVCXPZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.32
Rot. Bonds6

About 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol

3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol (PubChem CID 82045257) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
PubChem CID82045257
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESOc1cccc(CNCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H24N2O/c22-18-10-6-7-16(13-18)14-20-15-19(21-11-4-5-12-21)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,22H,4-5,11-12,14-15H2
InChIKeyPWPGDJGNJVCXPZ-UHFFFAOYSA-N
XLogP3.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
CID 78849561
4-[3-[[(2-morpholin-4-yl-2-phenylethyl)amino]methyl]phenoxy]butanenitrile
CID 119108874
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
3-[[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030009
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol (CID 82045257) is 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol is Oc1cccc(CNCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The InChIKey is PWPGDJGNJVCXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-18-10-6-7-16(13-18)14-20-15-19(21-11-4-5-12-21)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,22H,4-5,11-12,14-15H2.
What are the key properties of 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 82045257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).