2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine

C11H16ClNO — CID 62354816

IUPAC2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,8-13-3)14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3
InChIKeyHQJQMCLQZDPGFN-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine

2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 62354816) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
PubChem CID62354816
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,8-13-3)14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3
InChIKeyHQJQMCLQZDPGFN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126890
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
1,1-bis(2-chlorophenoxy)propan-1-ol
CID 139794539
2-(2-chlorophenoxy)-2-methylbutan-1-amine
CID 62355038
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 70807903
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292
1-chloro-2-methoxybenzene
CID 13011
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
1-chloro-2-(chloromethyl)-3-(2-methylbutan-2-yloxy)benzene
CID 29004046
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
CID 114998432

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine (CID 62354816) is 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is HQJQMCLQZDPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,8-13-3)14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3.
What are the key properties of 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine?
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62354816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).