2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine

C13H21NO — CID 16786344

IUPAC2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCOCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)8-11-4-6-12(7-5-11)13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyMJUDMJVDKJRSQQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.53
Rot. Bonds5

About 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine

2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 16786344) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID16786344
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCOCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)8-11-4-6-12(7-5-11)13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyMJUDMJVDKJRSQQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103487574
2-(3-methoxypropylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64674466
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
(1R)-2-methoxy-1-phenylethanamine
CID 11019045

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 16786344) is 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine is COCC(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is MJUDMJVDKJRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)8-11-4-6-12(7-5-11)13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 16786344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).