3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine

C11H16ClNO2 — CID 79492735

IUPAC3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3
InChIKeyQGBJTYDZHLPQAP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.83
Rot. Bonds5

About 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine

3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine (PubChem CID 79492735) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
PubChem CID79492735
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3
InChIKeyQGBJTYDZHLPQAP-UHFFFAOYSA-N
XLogP1.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
[1-(2-chlorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105286578
(2R,3S)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383620
(2R,3R)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383619
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine (CID 79492735) is 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine is COC(OC)C(N)Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine?
The InChIKey is QGBJTYDZHLPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine?
3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine has a molecular weight of 229.71 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 79492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).