N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide

C12H17NO — CID 15469540

IUPACN-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide
SMILESCc1cc(C)c([C@@H](C)NC=O)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-5-9(2)12(10(3)6-8)11(4)13-7-14/h5-7,11H,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyGHDLXNZKJQXLKH-LLVKDONJSA-N
MW191.27 g/mol
LogP2.42
Rot. Bonds3

About N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide

N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide (PubChem CID 15469540) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide
PubChem CID15469540
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide
SMILESCc1cc(C)c([C@@H](C)NC=O)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-5-9(2)12(10(3)6-8)11(4)13-7-14/h5-7,11H,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyGHDLXNZKJQXLKH-LLVKDONJSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 43097444
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
N-[1-(2,4,6-trimethylphenyl)ethyl]but-3-yn-2-amine
CID 114415108
2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116908621
N-[4-[1-(2,4,6-trimethylphenyl)ethylamino]phenyl]acetamide
CID 43824765
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 63476548
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43103984
4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
CID 60865371

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide?
The IUPAC name of N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide (CID 15469540) is N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide?
The canonical SMILES for N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide is Cc1cc(C)c([C@@H](C)NC=O)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide?
The InChIKey is GHDLXNZKJQXLKH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-9(2)12(10(3)6-8)11(4)13-7-14/h5-7,11H,1-4H3,(H,13,14)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide?
N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide has a molecular weight of 191.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide is sourced from PubChem (CID 15469540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).