1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine

C17H23ClN2 — CID 66411722

IUPAC1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1cccc1CNC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H23ClN2/c1-4-20-11-5-6-16(20)12-19-17(13(2)3)14-7-9-15(18)10-8-14/h5-11,13,17,19H,4,12H2,1-3H3
InChIKeyNIRLABHCNLBWLR-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.65
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine

1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 66411722) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID66411722
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1cccc1CNC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H23ClN2/c1-4-20-11-5-6-16(20)12-19-17(13(2)3)14-7-9-15(18)10-8-14/h5-11,13,17,19H,4,12H2,1-3H3
InChIKeyNIRLABHCNLBWLR-UHFFFAOYSA-N
XLogP4.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine (CID 66411722) is 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine is CCn1cccc1CNC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is NIRLABHCNLBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-4-20-11-5-6-16(20)12-19-17(13(2)3)14-7-9-15(18)10-8-14/h5-11,13,17,19H,4,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine?
1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 290.84 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66411722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).