1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol

C15H26N2O — CID 82071565

IUPAC1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
SMILESCCN(CC(O)c1ccc(C)c(N)c1)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-6-17(15(3,4)5)10-14(18)12-8-7-11(2)13(16)9-12/h7-9,14,18H,6,10,16H2,1-5H3
InChIKeyPUHFJLVJNIZJQP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol

1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol (PubChem CID 82071565) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
PubChem CID82071565
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
SMILESCCN(CC(O)c1ccc(C)c(N)c1)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-6-17(15(3,4)5)10-14(18)12-8-7-11(2)13(16)9-12/h7-9,14,18H,6,10,16H2,1-5H3
InChIKeyPUHFJLVJNIZJQP-UHFFFAOYSA-N
XLogP2.73
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
CID 82136110
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
CID 82073458
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol
CID 103190785

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol (CID 82071565) is 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol is CCN(CC(O)c1ccc(C)c(N)c1)C(C)(C)C.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol?
The InChIKey is PUHFJLVJNIZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17(15(3,4)5)10-14(18)12-8-7-11(2)13(16)9-12/h7-9,14,18H,6,10,16H2,1-5H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol?
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol is sourced from PubChem (CID 82071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).