N-(2-phenylethyl)-3-pyrrol-1-ylaniline

C18H18N2 — CID 43732988

IUPACN-(2-phenylethyl)-3-pyrrol-1-ylaniline
SMILESc1ccc(CCNc2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C18H18N2/c1-2-7-16(8-3-1)11-12-19-17-9-6-10-18(15-17)20-13-4-5-14-20/h1-10,13-15,19H,11-12H2
InChIKeyUDJSUWOLLZYYFR-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.13
Rot. Bonds5

About N-(2-phenylethyl)-3-pyrrol-1-ylaniline

N-(2-phenylethyl)-3-pyrrol-1-ylaniline (PubChem CID 43732988) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyrrol-1-ylaniline
PubChem CID43732988
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-(2-phenylethyl)-3-pyrrol-1-ylaniline
SMILESc1ccc(CCNc2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C18H18N2/c1-2-7-16(8-3-1)11-12-19-17-9-6-10-18(15-17)20-13-4-5-14-20/h1-10,13-15,19H,11-12H2
InChIKeyUDJSUWOLLZYYFR-UHFFFAOYSA-N
XLogP4.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
3-(2-phenylethylamino)phenol
CID 28722392
N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline
CID 106675276
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
3-(2-phenylethylamino)benzoic acid
CID 43139401
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(2-phenylethyl)-3-pyrrol-1-ylaniline (CID 43732988) is N-(2-phenylethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(2-phenylethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(2-phenylethyl)-3-pyrrol-1-ylaniline is c1ccc(CCNc2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of N-(2-phenylethyl)-3-pyrrol-1-ylaniline?
The InChIKey is UDJSUWOLLZYYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-7-16(8-3-1)11-12-19-17-9-6-10-18(15-17)20-13-4-5-14-20/h1-10,13-15,19H,11-12H2.
What are the key properties of N-(2-phenylethyl)-3-pyrrol-1-ylaniline?
N-(2-phenylethyl)-3-pyrrol-1-ylaniline has a molecular weight of 262.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43732988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).