1-[2-(1-methoxyethyl)phenyl]propan-2-amine

C12H19NO — CID 117111257

IUPAC1-[2-(1-methoxyethyl)phenyl]propan-2-amine
SMILESCOC(C)c1ccccc1CC(C)N
InChIInChI=1S/C12H19NO/c1-9(13)8-11-6-4-5-7-12(11)10(2)14-3/h4-7,9-10H,8,13H2,1-3H3
InChIKeyTZLZCWRLUSYBDQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(1-methoxyethyl)phenyl]propan-2-amine

1-[2-(1-methoxyethyl)phenyl]propan-2-amine (PubChem CID 117111257) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(1-methoxyethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-methoxyethyl)phenyl]propan-2-amine
PubChem CID117111257
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[2-(1-methoxyethyl)phenyl]propan-2-amine
SMILESCOC(C)c1ccccc1CC(C)N
InChIInChI=1S/C12H19NO/c1-9(13)8-11-6-4-5-7-12(11)10(2)14-3/h4-7,9-10H,8,13H2,1-3H3
InChIKeyTZLZCWRLUSYBDQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
CID 117320593
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-[2-(1-methoxyethyl)phenyl]propan-1-amine
CID 115113156
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
CID 174469146
CID 174469146
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-(2,2-difluoroethyl)phenyl]ethanamine
CID 84660069
2-[2-(1-methoxyethyl)phenyl]propan-1-ol
CID 117113507
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxyethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(1-methoxyethyl)phenyl]propan-2-amine (CID 117111257) is 1-[2-(1-methoxyethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-methoxyethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(1-methoxyethyl)phenyl]propan-2-amine is COC(C)c1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(1-methoxyethyl)phenyl]propan-2-amine?
The InChIKey is TZLZCWRLUSYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(13)8-11-6-4-5-7-12(11)10(2)14-3/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of 1-[2-(1-methoxyethyl)phenyl]propan-2-amine?
1-[2-(1-methoxyethyl)phenyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117111257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).