N-(2-phenylethenyl)-N-(1-phenylethyl)aniline

C22H21N — CID 175095335

IUPACN-(2-phenylethenyl)-N-(1-phenylethyl)aniline
SMILESCC(c1ccccc1)N(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N/c1-19(21-13-7-3-8-14-21)23(22-15-9-4-10-16-22)18-17-20-11-5-2-6-12-20/h2-19H,1H3
InChIKeyXJHBERZPPVKRJO-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.93
Rot. Bonds5

About N-(2-phenylethenyl)-N-(1-phenylethyl)aniline

N-(2-phenylethenyl)-N-(1-phenylethyl)aniline (PubChem CID 175095335) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-phenylethenyl)-N-(1-phenylethyl)aniline.

Molecular Properties

Compound NameN-(2-phenylethenyl)-N-(1-phenylethyl)aniline
PubChem CID175095335
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC NameN-(2-phenylethenyl)-N-(1-phenylethyl)aniline
SMILESCC(c1ccccc1)N(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N/c1-19(21-13-7-3-8-14-21)23(22-15-9-4-10-16-22)18-17-20-11-5-2-6-12-20/h2-19H,1H3
InChIKeyXJHBERZPPVKRJO-UHFFFAOYSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
N-[(1S)-1-phenylethyl]-N-[(N-[(1S)-1-phenylethyl]anilino)disulfanyl]aniline
CID 59444440
CID 100998322
CID 100998322
N'-methyl-N'-phenyl-N-[(E)-2-phenylethenyl]acetohydrazide
CID 101280500
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[(1R)-1-[benzyl-[(1S)-1-phenylethyl]amino]-3-phenylprop-2-enyl]phenol
CID 91271714
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
4-[methyl(2-phenylethenyl)amino]phenol
CID 174417234
N-(1-chloroethyl)-N-(1-phenylethyl)aniline
CID 21396778
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenyl)-N-(1-phenylethyl)aniline?
The IUPAC name of N-(2-phenylethenyl)-N-(1-phenylethyl)aniline (CID 175095335) is N-(2-phenylethenyl)-N-(1-phenylethyl)aniline.
What is the SMILES notation for N-(2-phenylethenyl)-N-(1-phenylethyl)aniline?
The canonical SMILES for N-(2-phenylethenyl)-N-(1-phenylethyl)aniline is CC(c1ccccc1)N(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylethenyl)-N-(1-phenylethyl)aniline?
The InChIKey is XJHBERZPPVKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-19(21-13-7-3-8-14-21)23(22-15-9-4-10-16-22)18-17-20-11-5-2-6-12-20/h2-19H,1H3.
What are the key properties of N-(2-phenylethenyl)-N-(1-phenylethyl)aniline?
N-(2-phenylethenyl)-N-(1-phenylethyl)aniline has a molecular weight of 299.42 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenyl)-N-(1-phenylethyl)aniline is sourced from PubChem (CID 175095335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).