(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol

C6H14ClNO — CID 12624614

IUPAC(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)CCl
InChIInChI=1S/C6H14ClNO/c1-5(2)8-4-6(9)3-7/h5-6,8-9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyZRBLAFWOGCBZPV-LURJTMIESA-N
MW151.64 g/mol
LogP0.58
Rot. Bonds4

About (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol

(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol (PubChem CID 12624614) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
PubChem CID12624614
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)CCl
InChIInChI=1S/C6H14ClNO/c1-5(2)8-4-6(9)3-7/h5-6,8-9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyZRBLAFWOGCBZPV-LURJTMIESA-N
XLogP0.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
2-[(3-chloro-2-hydroxypropyl)amino]-3-methylbutanoic acid
CID 156963523
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
2-[(3-chloro-2-hydroxypropyl)amino]butane-1,4-diol
CID 23396804
1-chloro-3-hydrazinylpropan-2-ol
CID 156701816
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
1-chloro-3-(propylamino)propan-2-ol
CID 55301925
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol (CID 12624614) is (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)CCl.
What is the InChIKey of (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZRBLAFWOGCBZPV-LURJTMIESA-N. The full InChI is InChI=1S/C6H14ClNO/c1-5(2)8-4-6(9)3-7/h5-6,8-9H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 151.64 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 12624614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).