N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine

C14H23NO — CID 62041063

IUPACN-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
SMILESCCC(COc1c(C)cc(C)cc1C)NC
InChIInChI=1S/C14H23NO/c1-6-13(15-5)9-16-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyGGCPNBNCICVCCH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine

N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine (PubChem CID 62041063) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
PubChem CID62041063
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
SMILESCCC(COc1c(C)cc(C)cc1C)NC
InChIInChI=1S/C14H23NO/c1-6-13(15-5)9-16-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyGGCPNBNCICVCCH-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
CID 62042780
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 61220683
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The IUPAC name of N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine (CID 62041063) is N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine is CCC(COc1c(C)cc(C)cc1C)NC.
What is the InChIKey of N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The InChIKey is GGCPNBNCICVCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-13(15-5)9-16-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3.
What are the key properties of N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine is sourced from PubChem (CID 62041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).