4-(3-amino-2-methylanilino)butan-2-ol

C11H18N2O — CID 64928447

IUPAC4-(3-amino-2-methylanilino)butan-2-ol
SMILESCc1c(N)cccc1NCCC(C)O
InChIInChI=1S/C11H18N2O/c1-8(14)6-7-13-11-5-3-4-10(12)9(11)2/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyZSHWUZFXWCVLCH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds4

About 4-(3-amino-2-methylanilino)butan-2-ol

4-(3-amino-2-methylanilino)butan-2-ol (PubChem CID 64928447) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(3-amino-2-methylanilino)butan-2-ol.

Molecular Properties

Compound Name4-(3-amino-2-methylanilino)butan-2-ol
PubChem CID64928447
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(3-amino-2-methylanilino)butan-2-ol
SMILESCc1c(N)cccc1NCCC(C)O
InChIInChI=1S/C11H18N2O/c1-8(14)6-7-13-11-5-3-4-10(12)9(11)2/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyZSHWUZFXWCVLCH-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
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

4-(2-methylanilino)butan-2-ol
CID 112693026
4-(2-amino-6-chloroanilino)butan-2-ol
CID 64927863
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
CID 66180708
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
4-[(3-amino-4-pyridinyl)amino]butan-2-ol
CID 64928058
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
5-(3-amino-2-nitroanilino)pentan-2-ol
CID 106138135
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylanilino)butan-2-ol?
The IUPAC name of 4-(3-amino-2-methylanilino)butan-2-ol (CID 64928447) is 4-(3-amino-2-methylanilino)butan-2-ol.
What is the SMILES notation for 4-(3-amino-2-methylanilino)butan-2-ol?
The canonical SMILES for 4-(3-amino-2-methylanilino)butan-2-ol is Cc1c(N)cccc1NCCC(C)O.
What is the InChIKey of 4-(3-amino-2-methylanilino)butan-2-ol?
The InChIKey is ZSHWUZFXWCVLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(14)6-7-13-11-5-3-4-10(12)9(11)2/h3-5,8,13-14H,6-7,12H2,1-2H3.
What are the key properties of 4-(3-amino-2-methylanilino)butan-2-ol?
4-(3-amino-2-methylanilino)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylanilino)butan-2-ol is sourced from PubChem (CID 64928447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).