4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol

C12H14N2O — CID 115686154

IUPAC4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cc[nH]c2)cc1
InChIInChI=1S/C12H14N2O/c15-12-3-1-10(2-4-12)7-14-9-11-5-6-13-8-11/h1-6,8,13-15H,7,9H2
InChIKeyCCZLCJKKLKMCDW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds4

About 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol

4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol (PubChem CID 115686154) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
PubChem CID115686154
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cc[nH]c2)cc1
InChIInChI=1S/C12H14N2O/c15-12-3-1-10(2-4-12)7-14-9-11-5-6-13-8-11/h1-6,8,13-15H,7,9H2
InChIKeyCCZLCJKKLKMCDW-UHFFFAOYSA-N
XLogP2.01
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1H-pyrrol-3-ylmethylamino)methyl]aniline
CID 115212481
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354
2-methyl-1-(1H-pyrrol-3-ylmethylamino)propan-2-ol
CID 66409643
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686118
2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 115405774
5-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 107302884
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66407617
3-chloro-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115215629
N-(1H-imidazol-5-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 66407683
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol (CID 115686154) is 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2cc[nH]c2)cc1.
What is the InChIKey of 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol?
The InChIKey is CCZLCJKKLKMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12-3-1-10(2-4-12)7-14-9-11-5-6-13-8-11/h1-6,8,13-15H,7,9H2.
What are the key properties of 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol?
4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol has a molecular weight of 202.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115686154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).