1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

C14H18N2O — CID 66408093

IUPAC1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cc[nH]c2)c1
InChIInChI=1S/C14H18N2O/c1-2-17-14-5-3-4-12(8-14)9-16-11-13-6-7-15-10-13/h3-8,10,15-16H,2,9,11H2,1H3
InChIKeyVBWAGKKIUCUCFJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (PubChem CID 66408093) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
PubChem CID66408093
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cc[nH]c2)c1
InChIInChI=1S/C14H18N2O/c1-2-17-14-5-3-4-12(8-14)9-16-11-13-6-7-15-10-13/h3-8,10,15-16H,2,9,11H2,1H3
InChIKeyVBWAGKKIUCUCFJ-UHFFFAOYSA-N
XLogP2.70
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102909966
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
1-(3-ethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 62132043
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (CID 66408093) is 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is CCOc1cccc(CNCc2cc[nH]c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The InChIKey is VBWAGKKIUCUCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-17-14-5-3-4-12(8-14)9-16-11-13-6-7-15-10-13/h3-8,10,15-16H,2,9,11H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is sourced from PubChem (CID 66408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).