N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C13H18N2O — CID 102905003

IUPACN-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCCc1ccccc1NC1=NCCC1
InChIInChI=1S/C13H18N2O/c1-16-10-8-11-5-2-3-6-12(11)15-13-7-4-9-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyAAPCKTNTEGSQHX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 102905003) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID102905003
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCCc1ccccc1NC1=NCCC1
InChIInChI=1S/C13H18N2O/c1-16-10-8-11-5-2-3-6-12(11)15-13-7-4-9-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyAAPCKTNTEGSQHX-UHFFFAOYSA-N
XLogP2.48
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877
1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759555
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
5-ethyl-N-[2-(2-methoxyethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 102906858
6-N-[2-(2-methoxyethyl)phenyl]-2-N-methylpyridine-2,6-diamine
CID 102908736
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102907825
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
6-hydrazinyl-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102908957

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 102905003) is N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is COCCc1ccccc1NC1=NCCC1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is AAPCKTNTEGSQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-10-8-11-5-2-3-6-12(11)15-13-7-4-9-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 102905003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).