[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol

C18H22N2O — CID 43790512

IUPAC[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2O/c21-14-16-5-1-2-6-18(16)19-13-15-7-9-17(10-8-15)20-11-3-4-12-20/h1-2,5-10,19,21H,3-4,11-14H2
InChIKeyXGARPZUDTOKTLT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.39
Rot. Bonds5

About [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol

[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol (PubChem CID 43790512) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
PubChem CID43790512
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2O/c21-14-16-5-1-2-6-18(16)19-13-15-7-9-17(10-8-15)20-11-3-4-12-20/h1-2,5-10,19,21H,3-4,11-14H2
InChIKeyXGARPZUDTOKTLT-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734
2-methyl-3-methylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]aniline
CID 167753969
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058

Frequently Asked Questions

What is the IUPAC name of [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol (CID 43790512) is [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol is OCc1ccccc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol?
The InChIKey is XGARPZUDTOKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-14-16-5-1-2-6-18(16)19-13-15-7-9-17(10-8-15)20-11-3-4-12-20/h1-2,5-10,19,21H,3-4,11-14H2.
What are the key properties of [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol?
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43790512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).