N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline

C24H27N — CID 142157502

IUPACN-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline
SMILESCc1cc(C)c(N(Cc2ccccc2)C(C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27N/c1-18-15-19(2)24(20(3)16-18)25(17-22-11-7-5-8-12-22)21(4)23-13-9-6-10-14-23/h5-16,21H,17H2,1-4H3
InChIKeyIGTLYXQBWQXUBZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.38
Rot. Bonds5

About N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline

N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline (PubChem CID 142157502) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline
PubChem CID142157502
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline
SMILESCc1cc(C)c(N(Cc2ccccc2)C(C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27N/c1-18-15-19(2)24(20(3)16-18)25(17-22-11-7-5-8-12-22)21(4)23-13-9-6-10-14-23/h5-16,21H,17H2,1-4H3
InChIKeyIGTLYXQBWQXUBZ-UHFFFAOYSA-N
XLogP6.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 59570704
N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11166154
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
CID 58326534
3-[3-[benzyl(1-phenylethyl)amino]-4-tert-butyl-2-hydroxyphenyl]propanoic acid
CID 70024912
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline?
The IUPAC name of N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline (CID 142157502) is N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline?
The canonical SMILES for N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline is Cc1cc(C)c(N(Cc2ccccc2)C(C)c2ccccc2)c(C)c1.
What is the InChIKey of N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline?
The InChIKey is IGTLYXQBWQXUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-18-15-19(2)24(20(3)16-18)25(17-22-11-7-5-8-12-22)21(4)23-13-9-6-10-14-23/h5-16,21H,17H2,1-4H3.
What are the key properties of N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline?
N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline has a molecular weight of 329.49 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 142157502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).