4-[2-(3-amino-2-methylanilino)ethyl]phenol

C15H18N2O — CID 55146611

IUPAC4-[2-(3-amino-2-methylanilino)ethyl]phenol
SMILESCc1c(N)cccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O/c1-11-14(16)3-2-4-15(11)17-10-9-12-5-7-13(18)8-6-12/h2-8,17-18H,9-10,16H2,1H3
InChIKeyBFXOTDVUIBSHRF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds4

About 4-[2-(3-amino-2-methylanilino)ethyl]phenol

4-[2-(3-amino-2-methylanilino)ethyl]phenol (PubChem CID 55146611) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[2-(3-amino-2-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(3-amino-2-methylanilino)ethyl]phenol
PubChem CID55146611
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[2-(3-amino-2-methylanilino)ethyl]phenol
SMILESCc1c(N)cccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O/c1-11-14(16)3-2-4-15(11)17-10-9-12-5-7-13(18)8-6-12/h2-8,17-18H,9-10,16H2,1H3
InChIKeyBFXOTDVUIBSHRF-UHFFFAOYSA-N
XLogP2.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124548
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
2-methyl-3-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,3-diamine
CID 80681480

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-2-methylanilino)ethyl]phenol?
The IUPAC name of 4-[2-(3-amino-2-methylanilino)ethyl]phenol (CID 55146611) is 4-[2-(3-amino-2-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(3-amino-2-methylanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(3-amino-2-methylanilino)ethyl]phenol is Cc1c(N)cccc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(3-amino-2-methylanilino)ethyl]phenol?
The InChIKey is BFXOTDVUIBSHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-14(16)3-2-4-15(11)17-10-9-12-5-7-13(18)8-6-12/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of 4-[2-(3-amino-2-methylanilino)ethyl]phenol?
4-[2-(3-amino-2-methylanilino)ethyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-2-methylanilino)ethyl]phenol is sourced from PubChem (CID 55146611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).