N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

C17H29N — CID 63521679

IUPACN-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCNCC(Cc1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H29N/c1-7-18-11-16(12(2)3)10-17-14(5)8-13(4)9-15(17)6/h8-9,12,16,18H,7,10-11H2,1-6H3
InChIKeyHHDNBMURKCIUGH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.04
Rot. Bonds6

About N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (PubChem CID 63521679) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
PubChem CID63521679
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCNCC(Cc1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H29N/c1-7-18-11-16(12(2)3)10-17-14(5)8-13(4)9-15(17)6/h8-9,12,16,18H,7,10-11H2,1-6H3
InChIKeyHHDNBMURKCIUGH-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63523301
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (CID 63521679) is N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is CCNCC(Cc1c(C)cc(C)cc1C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is HHDNBMURKCIUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-18-11-16(12(2)3)10-17-14(5)8-13(4)9-15(17)6/h8-9,12,16,18H,7,10-11H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 63521679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).