2-(2-chlorophenoxy)-2-methylbutan-1-amine

C11H16ClNO — CID 62355038

IUPAC2-(2-chlorophenoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-11(2,8-13)14-10-7-5-4-6-9(10)12/h4-7H,3,8,13H2,1-2H3
InChIKeyMUCRCACHVHSOHI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-chlorophenoxy)-2-methylbutan-1-amine

2-(2-chlorophenoxy)-2-methylbutan-1-amine (PubChem CID 62355038) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-2-methylbutan-1-amine
PubChem CID62355038
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-chlorophenoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-11(2,8-13)14-10-7-5-4-6-9(10)12/h4-7H,3,8,13H2,1-2H3
InChIKeyMUCRCACHVHSOHI-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628
2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355244
1,1-bis(2-chlorophenoxy)propan-1-ol
CID 139794539
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
CID 62354841
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
N-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
N-ethyl-2-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62354633
N-ethyl-2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355451

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-2-methylbutan-1-amine?
The IUPAC name of 2-(2-chlorophenoxy)-2-methylbutan-1-amine (CID 62355038) is 2-(2-chlorophenoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-chlorophenoxy)-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-chlorophenoxy)-2-methylbutan-1-amine is CCC(C)(CN)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-2-methylbutan-1-amine?
The InChIKey is MUCRCACHVHSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-11(2,8-13)14-10-7-5-4-6-9(10)12/h4-7H,3,8,13H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-2-methylbutan-1-amine?
2-(2-chlorophenoxy)-2-methylbutan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 62355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).