N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C18H31NO — CID 103029466

IUPACN-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31NO/c1-7-19-17(13-18(4,5)20-6)16-10-8-9-15(12-16)11-14(2)3/h8-10,12,14,17,19H,7,11,13H2,1-6H3
InChIKeyDDKAXADVAQWGIC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds8

About N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 103029466) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID103029466
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31NO/c1-7-19-17(13-18(4,5)20-6)16-10-8-9-15(12-16)11-14(2)3/h8-10,12,14,17,19H,7,11,13H2,1-6H3
InChIKeyDDKAXADVAQWGIC-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
CID 116544670
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 103029466) is N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CCNC(CC(C)(C)OC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is DDKAXADVAQWGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-19-17(13-18(4,5)20-6)16-10-8-9-15(12-16)11-14(2)3/h8-10,12,14,17,19H,7,11,13H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 103029466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).