2-[1-amino-3-(methylamino)propan-2-yl]phenol

C10H16N2O — CID 20546109

IUPAC2-[1-amino-3-(methylamino)propan-2-yl]phenol
SMILESCNCC(CN)c1ccccc1O
InChIInChI=1S/C10H16N2O/c1-12-7-8(6-11)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyNWDSWLMPHJQAKI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.65
Rot. Bonds4

About 2-[1-amino-3-(methylamino)propan-2-yl]phenol

2-[1-amino-3-(methylamino)propan-2-yl]phenol (PubChem CID 20546109) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-amino-3-(methylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-amino-3-(methylamino)propan-2-yl]phenol
PubChem CID20546109
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[1-amino-3-(methylamino)propan-2-yl]phenol
SMILESCNCC(CN)c1ccccc1O
InChIInChI=1S/C10H16N2O/c1-12-7-8(6-11)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyNWDSWLMPHJQAKI-UHFFFAOYSA-N
XLogP0.65
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 20546207
N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
CID 20546579
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117243823
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
CID 117243992
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-[2,6-bis(methylsulfinyl)phenyl]-N'-methylpropane-1,3-diamine
CID 20546354

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(methylamino)propan-2-yl]phenol?
The IUPAC name of 2-[1-amino-3-(methylamino)propan-2-yl]phenol (CID 20546109) is 2-[1-amino-3-(methylamino)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-amino-3-(methylamino)propan-2-yl]phenol?
The canonical SMILES for 2-[1-amino-3-(methylamino)propan-2-yl]phenol is CNCC(CN)c1ccccc1O.
What is the InChIKey of 2-[1-amino-3-(methylamino)propan-2-yl]phenol?
The InChIKey is NWDSWLMPHJQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-7-8(6-11)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 2-[1-amino-3-(methylamino)propan-2-yl]phenol?
2-[1-amino-3-(methylamino)propan-2-yl]phenol has a molecular weight of 180.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-3-(methylamino)propan-2-yl]phenol is sourced from PubChem (CID 20546109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).