(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine

C13H21NO — CID 30071838

IUPAC(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
SMILESCC(C)CCOc1cccc([C@H](C)N)c1
InChIInChI=1S/C13H21NO/c1-10(2)7-8-15-13-6-4-5-12(9-13)11(3)14/h4-6,9-11H,7-8,14H2,1-3H3/t11-/m0/s1
InChIKeyBUAMGPFIJDGUIG-NSHDSACASA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds5

About (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine

(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 30071838) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
PubChem CID30071838
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
SMILESCC(C)CCOc1cccc([C@H](C)N)c1
InChIInChI=1S/C13H21NO/c1-10(2)7-8-15-13-6-4-5-12(9-13)11(3)14/h4-6,9-11H,7-8,14H2,1-3H3/t11-/m0/s1
InChIKeyBUAMGPFIJDGUIG-NSHDSACASA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
CID 134331280
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
(1S)-1-(3-pent-3-ynoxyphenyl)ethanamine
CID 104805207
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine (CID 30071838) is (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine is CC(C)CCOc1cccc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is BUAMGPFIJDGUIG-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)7-8-15-13-6-4-5-12(9-13)11(3)14/h4-6,9-11H,7-8,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine?
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 30071838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).