3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol

C13H21NO2 — CID 65190715

IUPAC3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
SMILESCCCOc1cccc(C(O)C(C)CN)c1
InChIInChI=1S/C13H21NO2/c1-3-7-16-12-6-4-5-11(8-12)13(15)10(2)9-14/h4-6,8,10,13,15H,3,7,9,14H2,1-2H3
InChIKeyYMABKWWPIXLNRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds6

About 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol

3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol (PubChem CID 65190715) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
PubChem CID65190715
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
SMILESCCCOc1cccc(C(O)C(C)CN)c1
InChIInChI=1S/C13H21NO2/c1-3-7-16-12-6-4-5-11(8-12)13(15)10(2)9-14/h4-6,8,10,13,15H,3,7,9,14H2,1-2H3
InChIKeyYMABKWWPIXLNRL-UHFFFAOYSA-N
XLogP2.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-3-amino-2-methyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
CID 118334144
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
4-amino-3-(3-propoxyphenyl)pentan-1-ol
CID 66092391
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
3-methyl-1-(3-propoxyphenoxy)butan-2-ol
CID 69097462

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol (CID 65190715) is 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol is CCCOc1cccc(C(O)C(C)CN)c1.
What is the InChIKey of 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol?
The InChIKey is YMABKWWPIXLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-7-16-12-6-4-5-11(8-12)13(15)10(2)9-14/h4-6,8,10,13,15H,3,7,9,14H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol?
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 65190715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).