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

C16H22N2O — CID 102940118

IUPACN-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(COCc2ccccc2)c1
InChIInChI=1S/C16H22N2O/c1-2-9-17-11-16-8-10-18(12-16)14-19-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3
InChIKeyGIXTUZUGUUMCFQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.16
Rot. Bonds8

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

N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 102940118) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID102940118
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(COCc2ccccc2)c1
InChIInChI=1S/C16H22N2O/c1-2-9-17-11-16-8-10-18(12-16)14-19-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3
InChIKeyGIXTUZUGUUMCFQ-UHFFFAOYSA-N
XLogP3.16
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.16
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-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
N-[[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404531
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404940
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-[[1-[(3-bromophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66406962
N-[[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66406340
N-benzylpropan-1-amine;ethane;propane
CID 145164103
1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one
CID 102940057
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405935
N-[[1-(quinolin-2-ylmethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404327
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575

Frequently Asked Questions

What is the IUPAC name of N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine (CID 102940118) is N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(COCc2ccccc2)c1.
What is the InChIKey of N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is GIXTUZUGUUMCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-9-17-11-16-8-10-18(12-16)14-19-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3.
What are the key properties of N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine?
N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 102940118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).