3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine

C17H24N2O — CID 133202835

IUPAC3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCOCCCNCc1ccn(C(C)c2ccccc2)c1
InChIInChI=1S/C17H24N2O/c1-15(17-7-4-3-5-8-17)19-11-9-16(14-19)13-18-10-6-12-20-2/h3-5,7-9,11,14-15,18H,6,10,12-13H2,1-2H3
InChIKeyCTXBPERBWAUCRI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds8

About 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine

3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 133202835) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID133202835
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCOCCCNCc1ccn(C(C)c2ccccc2)c1
InChIInChI=1S/C17H24N2O/c1-15(17-7-4-3-5-8-17)19-11-9-16(14-19)13-18-10-6-12-20-2/h3-5,7-9,11,14-15,18H,6,10,12-13H2,1-2H3
InChIKeyCTXBPERBWAUCRI-UHFFFAOYSA-N
XLogP3.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
CID 50850472
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine (CID 133202835) is 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine is COCCCNCc1ccn(C(C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is CTXBPERBWAUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15(17-7-4-3-5-8-17)19-11-9-16(14-19)13-18-10-6-12-20-2/h3-5,7-9,11,14-15,18H,6,10,12-13H2,1-2H3.
What are the key properties of 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine?
3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 133202835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).