4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol

C14H23ClN2O — CID 66002261

IUPAC4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1ccncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-13(2,3)17-8-6-14(4,18)9-11-5-7-16-10-12(11)15/h5,7,10,17-18H,6,8-9H2,1-4H3
InChIKeyXJYHMHPSLKMDSQ-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.81
Rot. Bonds5

About 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol

4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol (PubChem CID 66002261) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol
PubChem CID66002261
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1ccncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-13(2,3)17-8-6-14(4,18)9-11-5-7-16-10-12(11)15/h5,7,10,17-18H,6,8-9H2,1-4H3
InChIKeyXJYHMHPSLKMDSQ-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(3-chloro-4-pyridinyl)propan-2-one
CID 116588823
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
4-[2,2-bis(chloromethyl)-4-methylpentyl]-3-chloropyridine
CID 79448044
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148617

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol (CID 66002261) is 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol is CC(O)(CCNC(C)(C)C)Cc1ccncc1Cl.
What is the InChIKey of 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol?
The InChIKey is XJYHMHPSLKMDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-13(2,3)17-8-6-14(4,18)9-11-5-7-16-10-12(11)15/h5,7,10,17-18H,6,8-9H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol?
4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol is sourced from PubChem (CID 66002261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).