(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine

C13H19NO — CID 78947289

IUPAC(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCC2CC2)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-12(10(2)14)13(7-9)15-8-11-4-5-11/h3,6-7,10-11H,4-5,8,14H2,1-2H3/t10-/m0/s1
InChIKeyMNDBTZFBAKDLCT-JTQLQIEISA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds4

About (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine

(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine (PubChem CID 78947289) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
PubChem CID78947289
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCC2CC2)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-12(10(2)14)13(7-9)15-8-11-4-5-11/h3,6-7,10-11H,4-5,8,14H2,1-2H3/t10-/m0/s1
InChIKeyMNDBTZFBAKDLCT-JTQLQIEISA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
CID 106929334
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine (CID 78947289) is (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCC2CC2)c1.
What is the InChIKey of (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine?
The InChIKey is MNDBTZFBAKDLCT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO/c1-9-3-6-12(10(2)14)13(7-9)15-8-11-4-5-11/h3,6-7,10-11H,4-5,8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine?
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 78947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).