(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine

C13H21NO — CID 89490025

IUPAC(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
SMILESCc1cc([C@H](C)N)ccc1OCC(C)C
InChIInChI=1S/C13H21NO/c1-9(2)8-15-13-6-5-12(11(4)14)7-10(13)3/h5-7,9,11H,8,14H2,1-4H3/t11-/m0/s1
InChIKeyNCNXQPZZAMZPJA-NSHDSACASA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds4

About (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine

(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 89490025) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID89490025
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
SMILESCc1cc([C@H](C)N)ccc1OCC(C)C
InChIInChI=1S/C13H21NO/c1-9(2)8-15-13-6-5-12(11(4)14)7-10(13)3/h5-7,9,11H,8,14H2,1-4H3/t11-/m0/s1
InChIKeyNCNXQPZZAMZPJA-NSHDSACASA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
CID 54849719
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
CID 106450674
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
(1R)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437118
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437114
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine (CID 89490025) is (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine is Cc1cc([C@H](C)N)ccc1OCC(C)C.
What is the InChIKey of (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is NCNXQPZZAMZPJA-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)8-15-13-6-5-12(11(4)14)7-10(13)3/h5-7,9,11H,8,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine?
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 89490025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).