2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

C18H31NO — CID 63473544

IUPAC2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)OCCC(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)10-11-20-17(13-19-18(4,5)6)16-9-7-8-15(3)12-16/h7-9,12,14,17,19H,10-11,13H2,1-6H3
InChIKeyAKHTWMDRPPMBQA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds7

About 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 63473544) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID63473544
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)OCCC(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)10-11-20-17(13-19-18(4,5)6)16-9-7-8-15(3)12-16/h7-9,12,14,17,19H,10-11,13H2,1-6H3
InChIKeyAKHTWMDRPPMBQA-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
N-[2-cyclopentyloxy-2-(3-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108431
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (CID 63473544) is 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(C(CNC(C)(C)C)OCCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is AKHTWMDRPPMBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)10-11-20-17(13-19-18(4,5)6)16-9-7-8-15(3)12-16/h7-9,12,14,17,19H,10-11,13H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 63473544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).