N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine

C12H14N2O — CID 82710009

IUPACN-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
SMILESc1ccc(CONCc2ccc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-9-12-7-4-8-13-12/h1-8,13-14H,9-10H2
InChIKeyGQGVUZLKHIWYIF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.24
Rot. Bonds5

About N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine

N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 82710009) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
PubChem CID82710009
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
SMILESc1ccc(CONCc2ccc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-9-12-7-4-8-13-12/h1-8,13-14H,9-10H2
InChIKeyGQGVUZLKHIWYIF-UHFFFAOYSA-N
XLogP2.24
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(phenylmethoxyamino)methyl]-1H-pyridin-4-one
CID 96892313
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
benzyl 2-(1H-pyrrol-2-yl)acetate
CID 175566769
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493
1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
CID 82710324

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine (CID 82710009) is N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine is c1ccc(CONCc2ccc[nH]2)cc1.
What is the InChIKey of N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is GQGVUZLKHIWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-9-12-7-4-8-13-12/h1-8,13-14H,9-10H2.
What are the key properties of N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine?
N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 82710009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).