N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline

C26H32N2 — CID 23342282

IUPACN-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
SMILESCCN(Cc1ccc(CN(CC)c2cccc(C)c2)cc1)c1cccc(C)c1
InChIInChI=1S/C26H32N2/c1-5-27(25-11-7-9-21(3)17-25)19-23-13-15-24(16-14-23)20-28(6-2)26-12-8-10-22(4)18-26/h7-18H,5-6,19-20H2,1-4H3
InChIKeyFPOVDKCQVBBMBH-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.36
Rot. Bonds8

About N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline

N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline (PubChem CID 23342282) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
PubChem CID23342282
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
SMILESCCN(Cc1ccc(CN(CC)c2cccc(C)c2)cc1)c1cccc(C)c1
InChIInChI=1S/C26H32N2/c1-5-27(25-11-7-9-21(3)17-25)19-23-13-15-24(16-14-23)20-28(6-2)26-12-8-10-22(4)18-26/h7-18H,5-6,19-20H2,1-4H3
InChIKeyFPOVDKCQVBBMBH-UHFFFAOYSA-N
XLogP6.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
acetonitrile;N-benzyl-N-ethyl-3-methylaniline;N,3-dimethylaniline
CID 158779403
N-ethyl-5-[(N-ethyl-3-methylanilino)methyl]pyridin-2-amine
CID 62182436
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 65344258
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline?
The IUPAC name of N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline (CID 23342282) is N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline.
What is the SMILES notation for N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline?
The canonical SMILES for N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline is CCN(Cc1ccc(CN(CC)c2cccc(C)c2)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline?
The InChIKey is FPOVDKCQVBBMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-5-27(25-11-7-9-21(3)17-25)19-23-13-15-24(16-14-23)20-28(6-2)26-12-8-10-22(4)18-26/h7-18H,5-6,19-20H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline?
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline has a molecular weight of 372.56 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline is sourced from PubChem (CID 23342282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).