N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine

C20H22N2 — CID 5030277

IUPACN-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine
SMILESCc1cccc(-n2cccc2CNCCc2ccccc2)c1
InChIInChI=1S/C20H22N2/c1-17-7-5-10-19(15-17)22-14-6-11-20(22)16-21-13-12-18-8-3-2-4-9-18/h2-11,14-15,21H,12-13,16H2,1H3
InChIKeyHCBPMACDYOIWPS-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.12
Rot. Bonds6

About N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine

N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine (PubChem CID 5030277) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine
PubChem CID5030277
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine
SMILESCc1cccc(-n2cccc2CNCCc2ccccc2)c1
InChIInChI=1S/C20H22N2/c1-17-7-5-10-19(15-17)22-14-6-11-20(22)16-21-13-12-18-8-3-2-4-9-18/h2-11,14-15,21H,12-13,16H2,1H3
InChIKeyHCBPMACDYOIWPS-UHFFFAOYSA-N
XLogP4.12
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenylethanamine
CID 4279301
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
CID 50850472
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(3-methylphenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656281
N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
CID 46784890

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine (CID 5030277) is N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine is Cc1cccc(-n2cccc2CNCCc2ccccc2)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine?
The InChIKey is HCBPMACDYOIWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-17-7-5-10-19(15-17)22-14-6-11-20(22)16-21-13-12-18-8-3-2-4-9-18/h2-11,14-15,21H,12-13,16H2,1H3.
What are the key properties of N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine?
N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 5030277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).