(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine

C9H16ClNO — CID 142180411

IUPAC(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)C1=CC(Cl)CO1
InChIInChI=1S/C9H16ClNO/c1-9(2,3)8(11)7-4-6(10)5-12-7/h4,6,8H,5,11H2,1-3H3/t6?,8-/m0/s1
InChIKeyZZUXQZCGPVRYSB-XDKWHASVSA-N
MW189.69 g/mol
LogP1.88
Rot. Bonds1

About (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine

(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine (PubChem CID 142180411) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine
PubChem CID142180411
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)C1=CC(Cl)CO1
InChIInChI=1S/C9H16ClNO/c1-9(2,3)8(11)7-4-6(10)5-12-7/h4,6,8H,5,11H2,1-3H3/t6?,8-/m0/s1
InChIKeyZZUXQZCGPVRYSB-XDKWHASVSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine (CID 142180411) is (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)C1=CC(Cl)CO1.
What is the InChIKey of (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is ZZUXQZCGPVRYSB-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2,3)8(11)7-4-6(10)5-12-7/h4,6,8H,5,11H2,1-3H3/t6?,8-/m0/s1.
What are the key properties of (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine?
(1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 189.69 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 142180411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).