2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine

C14H17ClN2O — CID 66406454

IUPAC2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1ccc(Cl)cc1Cn1cccc1CCN
InChIInChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)9-11(14)10-17-8-2-3-13(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyRGFAGANZMMUCJH-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.70
Rot. Bonds5

About 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 66406454) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID66406454
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1ccc(Cl)cc1Cn1cccc1CCN
InChIInChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)9-11(14)10-17-8-2-3-13(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyRGFAGANZMMUCJH-UHFFFAOYSA-N
XLogP2.70
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402723
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189469
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402900
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine (CID 66406454) is 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine is COc1ccc(Cl)cc1Cn1cccc1CCN.
What is the InChIKey of 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is RGFAGANZMMUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)9-11(14)10-17-8-2-3-13(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3.
What are the key properties of 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 66406454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).