3-(butylamino)-2-(dimethylamino)phenol

C12H20N2O — CID 54044489

IUPAC3-(butylamino)-2-(dimethylamino)phenol
SMILESCCCCNc1cccc(O)c1N(C)C
InChIInChI=1S/C12H20N2O/c1-4-5-9-13-10-7-6-8-11(15)12(10)14(2)3/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyLOPFACHULRPUSW-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.67
Rot. Bonds5

About 3-(butylamino)-2-(dimethylamino)phenol

3-(butylamino)-2-(dimethylamino)phenol (PubChem CID 54044489) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(butylamino)-2-(dimethylamino)phenol.

Molecular Properties

Compound Name3-(butylamino)-2-(dimethylamino)phenol
PubChem CID54044489
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(butylamino)-2-(dimethylamino)phenol
SMILESCCCCNc1cccc(O)c1N(C)C
InChIInChI=1S/C12H20N2O/c1-4-5-9-13-10-7-6-8-11(15)12(10)14(2)3/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyLOPFACHULRPUSW-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)-2-(dimethylamino)benzoic acid;hydrochloride
CID 67782108
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
2-(hexadecylamino)phenol
CID 154256819
2,3-bis(octylamino)phenol
CID 67224440
5-(dodecylamino)naphthalen-1-ol
CID 11438841
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
2-(dimethylamino)benzene-1,3-diol
CID 21407142
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
3-chloro-2-N,2-N-dimethyl-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 43739685
2-(butylamino)-4-methoxyphenol
CID 57058313
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-2-(dimethylamino)phenol?
The IUPAC name of 3-(butylamino)-2-(dimethylamino)phenol (CID 54044489) is 3-(butylamino)-2-(dimethylamino)phenol.
What is the SMILES notation for 3-(butylamino)-2-(dimethylamino)phenol?
The canonical SMILES for 3-(butylamino)-2-(dimethylamino)phenol is CCCCNc1cccc(O)c1N(C)C.
What is the InChIKey of 3-(butylamino)-2-(dimethylamino)phenol?
The InChIKey is LOPFACHULRPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-9-13-10-7-6-8-11(15)12(10)14(2)3/h6-8,13,15H,4-5,9H2,1-3H3.
What are the key properties of 3-(butylamino)-2-(dimethylamino)phenol?
3-(butylamino)-2-(dimethylamino)phenol has a molecular weight of 208.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-2-(dimethylamino)phenol is sourced from PubChem (CID 54044489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).