2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine

C14H23NO — CID 43184265

IUPAC2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)COCCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)8-9-16-10-14(15)13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyVOGASOQDKWYUIV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine

2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine (PubChem CID 43184265) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
PubChem CID43184265
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)COCCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)8-9-16-10-14(15)13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyVOGASOQDKWYUIV-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
1-(2-methylphenyl)-2-octoxyethanamine
CID 43127875
1-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788381
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447029
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447365

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine (CID 43184265) is 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)COCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine?
The InChIKey is VOGASOQDKWYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)8-9-16-10-14(15)13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine?
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43184265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).