1-(tert-butylamino)-2-chloropropan-1-ol

C7H16ClNO — CID 88799444

IUPAC1-(tert-butylamino)-2-chloropropan-1-ol
SMILESCC(Cl)C(O)NC(C)(C)C
InChIInChI=1S/C7H16ClNO/c1-5(8)6(10)9-7(2,3)4/h5-6,9-10H,1-4H3
InChIKeyMFORBOGMLTUAFI-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.32
Rot. Bonds2

About 1-(tert-butylamino)-2-chloropropan-1-ol

1-(tert-butylamino)-2-chloropropan-1-ol (PubChem CID 88799444) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-chloropropan-1-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-chloropropan-1-ol
PubChem CID88799444
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name1-(tert-butylamino)-2-chloropropan-1-ol
SMILESCC(Cl)C(O)NC(C)(C)C
InChIInChI=1S/C7H16ClNO/c1-5(8)6(10)9-7(2,3)4/h5-6,9-10H,1-4H3
InChIKeyMFORBOGMLTUAFI-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
1-(tert-butylamino)-2,2,2-trichloroethanol
CID 15321157
1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
2-(tert-butylamino)-2-chloroacetic acid
CID 142800381
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
CID 84669079
1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate
CID 173445935
1-(1,1-dihydroxyethylamino)propane-1,2-diol
CID 168864563
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
chloroform;propan-2-ol
CID 173195035
1-(tert-butylamino)-2-(methylamino)ethanol
CID 166823664
(2S)-2-(tert-butylamino)propanamide
CID 122595245
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-chloropropan-1-ol?
The IUPAC name of 1-(tert-butylamino)-2-chloropropan-1-ol (CID 88799444) is 1-(tert-butylamino)-2-chloropropan-1-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-chloropropan-1-ol?
The canonical SMILES for 1-(tert-butylamino)-2-chloropropan-1-ol is CC(Cl)C(O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-chloropropan-1-ol?
The InChIKey is MFORBOGMLTUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO/c1-5(8)6(10)9-7(2,3)4/h5-6,9-10H,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-chloropropan-1-ol?
1-(tert-butylamino)-2-chloropropan-1-ol has a molecular weight of 165.66 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-chloropropan-1-ol is sourced from PubChem (CID 88799444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).