(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine

C16H22N2 — CID 81363119

IUPAC(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCn1ccc(CN[C@H](C)c2cccc(C)c2)c1
InChIInChI=1S/C16H22N2/c1-4-18-9-8-15(12-18)11-17-14(3)16-7-5-6-13(2)10-16/h5-10,12,14,17H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyXAJAVGICMKCCQY-CQSZACIVSA-N
MW242.37 g/mol
LogP3.67
Rot. Bonds5

About (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81363119) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81363119
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCn1ccc(CN[C@H](C)c2cccc(C)c2)c1
InChIInChI=1S/C16H22N2/c1-4-18-9-8-15(12-18)11-17-14(3)16-7-5-6-13(2)10-16/h5-10,12,14,17H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyXAJAVGICMKCCQY-CQSZACIVSA-N
XLogP3.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
1-(1,3-benzodioxol-5-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66413948
N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81363119) is (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine is CCn1ccc(CN[C@H](C)c2cccc(C)c2)c1.
What is the InChIKey of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is XAJAVGICMKCCQY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-18-9-8-15(12-18)11-17-14(3)16-7-5-6-13(2)10-16/h5-10,12,14,17H,4,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).