1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol

C14H24N2O — CID 66180708

IUPAC1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
SMILESCc1c(N)cccc1NCC(C)(O)CC(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)8-14(4,17)9-16-13-7-5-6-12(15)11(13)3/h5-7,10,16-17H,8-9,15H2,1-4H3
InChIKeyZKSHDKOASLWCKU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol

1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol (PubChem CID 66180708) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
PubChem CID66180708
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
SMILESCc1c(N)cccc1NCC(C)(O)CC(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)8-14(4,17)9-16-13-7-5-6-12(15)11(13)3/h5-7,10,16-17H,8-9,15H2,1-4H3
InChIKeyZKSHDKOASLWCKU-UHFFFAOYSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol (CID 66180708) is 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol is Cc1c(N)cccc1NCC(C)(O)CC(C)C.
What is the InChIKey of 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol?
The InChIKey is ZKSHDKOASLWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)8-14(4,17)9-16-13-7-5-6-12(15)11(13)3/h5-7,10,16-17H,8-9,15H2,1-4H3.
What are the key properties of 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol?
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66180708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).