N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline

C18H15N — CID 134173102

IUPACN-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline
SMILESCc1cccc(N(C2=C=CC=C2)c2ccccc2)c1
InChIInChI=1S/C18H15N/c1-15-8-7-13-18(14-15)19(17-11-5-6-12-17)16-9-3-2-4-10-16/h2-11,13-14H,1H3
InChIKeyPNPPRTVKWIZWPG-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.74
Rot. Bonds3

About N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline

N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline (PubChem CID 134173102) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline
PubChem CID134173102
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC NameN-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline
SMILESCc1cccc(N(C2=C=CC=C2)c2ccccc2)c1
InChIInChI=1S/C18H15N/c1-15-8-7-13-18(14-15)19(17-11-5-6-12-17)16-9-3-2-4-10-16/h2-11,13-14H,1H3
InChIKeyPNPPRTVKWIZWPG-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-N,N-diphenylaniline
CID 145208007
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
CID 134425987
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline?
The IUPAC name of N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline (CID 134173102) is N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline.
What is the SMILES notation for N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline?
The canonical SMILES for N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline is Cc1cccc(N(C2=C=CC=C2)c2ccccc2)c1.
What is the InChIKey of N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline?
The InChIKey is PNPPRTVKWIZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-15-8-7-13-18(14-15)19(17-11-5-6-12-17)16-9-3-2-4-10-16/h2-11,13-14H,1H3.
What are the key properties of N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline?
N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline has a molecular weight of 245.32 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline is sourced from PubChem (CID 134173102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).