N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine

C15H19ClN2O — CID 103292079

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
SMILESCCn1cccc1CNCc1c(Cl)cccc1OC
InChIInChI=1S/C15H19ClN2O/c1-3-18-9-5-6-12(18)10-17-11-13-14(16)7-4-8-15(13)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyUHBBHBPBXUJNIK-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.46
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine (PubChem CID 103292079) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
PubChem CID103292079
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
SMILESCCn1cccc1CNCc1c(Cl)cccc1OC
InChIInChI=1S/C15H19ClN2O/c1-3-18-9-5-6-12(18)10-17-11-13-14(16)7-4-8-15(13)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyUHBBHBPBXUJNIK-UHFFFAOYSA-N
XLogP3.46
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 115634762
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
1-(2-chloro-6-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115634865
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine (CID 103292079) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine is CCn1cccc1CNCc1c(Cl)cccc1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine?
The InChIKey is UHBBHBPBXUJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-18-9-5-6-12(18)10-17-11-13-14(16)7-4-8-15(13)19-2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine has a molecular weight of 278.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine is sourced from PubChem (CID 103292079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).