1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine

C16H26ClNO2 — CID 106664975

IUPAC1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-5-14(18)15(12-8-6-7-9-13(12)17)20-11-10-16(2,3)19-4/h6-9,14-15H,5,10-11,18H2,1-4H3
InChIKeyRMBIRGQZJSLHAN-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.95
Rot. Bonds8

About 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine

1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine (PubChem CID 106664975) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
PubChem CID106664975
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-5-14(18)15(12-8-6-7-9-13(12)17)20-11-10-16(2,3)19-4/h6-9,14-15H,5,10-11,18H2,1-4H3
InChIKeyRMBIRGQZJSLHAN-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985
1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036299
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
CID 116760606
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine (CID 106664975) is 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine is CCC(N)C(OCCC(C)(C)OC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine?
The InChIKey is RMBIRGQZJSLHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-14(18)15(12-8-6-7-9-13(12)17)20-11-10-16(2,3)19-4/h6-9,14-15H,5,10-11,18H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine?
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine has a molecular weight of 299.84 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine is sourced from PubChem (CID 106664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).