N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine

C15H20N2 — CID 46398450

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
SMILESCn1cccc1CNCCCc1ccccc1
InChIInChI=1S/C15H20N2/c1-17-12-6-10-15(17)13-16-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3
InChIKeyPYEZSPHDZVCBOL-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine

N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 46398450) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
PubChem CID46398450
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
SMILESCn1cccc1CNCCCc1ccccc1
InChIInChI=1S/C15H20N2/c1-17-12-6-10-15(17)13-16-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3
InChIKeyPYEZSPHDZVCBOL-UHFFFAOYSA-N
XLogP2.75
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.75
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

3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
3-butoxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 115574170
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
2-(3,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 3141735
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine (CID 46398450) is N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine is Cn1cccc1CNCCCc1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is PYEZSPHDZVCBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-17-12-6-10-15(17)13-16-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine?
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 46398450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).