4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol

C13H17N3O — CID 82041220

IUPAC4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
SMILESCN(c1ccc(O)cc1)C(CN)c1ccc[nH]1
InChIInChI=1S/C13H17N3O/c1-16(10-4-6-11(17)7-5-10)13(9-14)12-3-2-8-15-12/h2-8,13,15,17H,9,14H2,1H3
InChIKeyCHLGNAHOGDVDQG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds4

About 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol

4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol (PubChem CID 82041220) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
PubChem CID82041220
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
SMILESCN(c1ccc(O)cc1)C(CN)c1ccc[nH]1
InChIInChI=1S/C13H17N3O/c1-16(10-4-6-11(17)7-5-10)13(9-14)12-3-2-8-15-12/h2-8,13,15,17H,9,14H2,1H3
InChIKeyCHLGNAHOGDVDQG-UHFFFAOYSA-N
XLogP1.86
TPSA65.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
CID 82040464
N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 82041457
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
4-[amino(1H-pyrrol-2-yl)methyl]phenol
CID 16641599
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol?
The IUPAC name of 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol (CID 82041220) is 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol is CN(c1ccc(O)cc1)C(CN)c1ccc[nH]1.
What is the InChIKey of 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol?
The InChIKey is CHLGNAHOGDVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(10-4-6-11(17)7-5-10)13(9-14)12-3-2-8-15-12/h2-8,13,15,17H,9,14H2,1H3.
What are the key properties of 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol?
4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol is sourced from PubChem (CID 82041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).