(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

C16H22N2 — CID 81351106

IUPAC(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C16H22N2/c1-3-11-18-12-7-10-16(18)13-17-14(2)15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3/t14-/m0/s1
InChIKeyIUUKQELFUZAAAT-AWEZNQCLSA-N
MW242.37 g/mol
LogP3.75
Rot. Bonds6

About (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81351106) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
PubChem CID81351106
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C16H22N2/c1-3-11-18-12-7-10-16(18)13-17-14(2)15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3/t14-/m0/s1
InChIKeyIUUKQELFUZAAAT-AWEZNQCLSA-N
XLogP3.75
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81375246
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
CID 7318399
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81351998
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (CID 81351106) is (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is CCCn1cccc1CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is IUUKQELFUZAAAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-11-18-12-7-10-16(18)13-17-14(2)15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81351106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).