(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

C20H27N — CID 81367068

IUPAC(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H27N/c1-13-8-7-9-19(12-13)17(5)21-18(6)20-15(3)10-14(2)11-16(20)4/h7-12,17-18,21H,1-6H3/t17-,18?/m0/s1
InChIKeyZXSXQCIXIKJGKO-ZENAZSQFSA-N
MW281.44 g/mol
LogP5.33
Rot. Bonds4

About (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (PubChem CID 81367068) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
PubChem CID81367068
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H27N/c1-13-8-7-9-19(12-13)17(5)21-18(6)20-15(3)10-14(2)11-16(20)4/h7-12,17-18,21H,1-6H3/t17-,18?/m0/s1
InChIKeyZXSXQCIXIKJGKO-ZENAZSQFSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
CID 43748567
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81356704
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (CID 81367068) is (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is Cc1cccc([C@H](C)NC(C)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The InChIKey is ZXSXQCIXIKJGKO-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H27N/c1-13-8-7-9-19(12-13)17(5)21-18(6)20-15(3)10-14(2)11-16(20)4/h7-12,17-18,21H,1-6H3/t17-,18?/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).