2-amino-4-[(propan-2-ylamino)methyl]phenol

C10H16N2O — CID 84657542

IUPAC2-amino-4-[(propan-2-ylamino)methyl]phenol
SMILESCC(C)NCc1ccc(O)c(N)c1
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyNVPSFHZSIRSLGK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-4-[(propan-2-ylamino)methyl]phenol

2-amino-4-[(propan-2-ylamino)methyl]phenol (PubChem CID 84657542) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-4-[(propan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(propan-2-ylamino)methyl]phenol
PubChem CID84657542
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-4-[(propan-2-ylamino)methyl]phenol
SMILESCC(C)NCc1ccc(O)c(N)c1
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyNVPSFHZSIRSLGK-UHFFFAOYSA-N
XLogP1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
2-amino-4-[(4-hydroxyanilino)methyl]phenol
CID 105487893
2-amino-4-(hydroxymethyl)phenol
CID 12000270
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-amino-4-(2-methylbutylsulfanylmethyl)phenol
CID 107748818
2-amino-4-(4-hydroxybutan-2-ylsulfanylmethyl)phenol
CID 66136739
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[4-[(methylsulfanylamino)methyl]phenyl]methyl]propan-2-amine
CID 142585436

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(propan-2-ylamino)methyl]phenol?
The IUPAC name of 2-amino-4-[(propan-2-ylamino)methyl]phenol (CID 84657542) is 2-amino-4-[(propan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(propan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-amino-4-[(propan-2-ylamino)methyl]phenol is CC(C)NCc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-[(propan-2-ylamino)methyl]phenol?
The InChIKey is NVPSFHZSIRSLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-6-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6,11H2,1-2H3.
What are the key properties of 2-amino-4-[(propan-2-ylamino)methyl]phenol?
2-amino-4-[(propan-2-ylamino)methyl]phenol has a molecular weight of 180.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(propan-2-ylamino)methyl]phenol is sourced from PubChem (CID 84657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).