N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine

C18H18N2O — CID 79091447

IUPACN-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine
SMILESc1ccc(COc2ccc(CNn3cccc3)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-17(7-3-1)15-21-18-10-8-16(9-11-18)14-19-20-12-4-5-13-20/h1-13,19H,14-15H2
InChIKeyYTCXCFGSUNMVCJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.81
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine

N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine (PubChem CID 79091447) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine
PubChem CID79091447
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine
SMILESc1ccc(COc2ccc(CNn3cccc3)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-17(7-3-1)15-21-18-10-8-16(9-11-18)14-19-20-12-4-5-13-20/h1-13,19H,14-15H2
InChIKeyYTCXCFGSUNMVCJ-UHFFFAOYSA-N
XLogP3.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124
N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
CID 66350789
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine (CID 79091447) is N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine is c1ccc(COc2ccc(CNn3cccc3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine?
The InChIKey is YTCXCFGSUNMVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-17(7-3-1)15-21-18-10-8-16(9-11-18)14-19-20-12-4-5-13-20/h1-13,19H,14-15H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine?
N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79091447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).