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

C17H24N2 — CID 81375246

IUPAC(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C17H24N2/c1-4-11-19-12-7-9-16(19)13-18-15(3)17-10-6-5-8-14(17)2/h5-10,12,15,18H,4,11,13H2,1-3H3/t15-/m0/s1
InChIKeyDBFZKZKSFZHWCA-HNNXBMFYSA-N
MW256.39 g/mol
LogP4.06
Rot. Bonds6

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

(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81375246) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
PubChem CID81375246
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C17H24N2/c1-4-11-19-12-7-9-16(19)13-18-15(3)17-10-6-5-8-14(17)2/h5-10,12,15,18H,4,11,13H2,1-3H3/t15-/m0/s1
InChIKeyDBFZKZKSFZHWCA-HNNXBMFYSA-N
XLogP4.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
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
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (CID 81375246) is (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is CCCn1cccc1CN[C@@H](C)c1ccccc1C.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is DBFZKZKSFZHWCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-11-19-12-7-9-16(19)13-18-15(3)17-10-6-5-8-14(17)2/h5-10,12,15,18H,4,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 256.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81375246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).