1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine

C16H26ClNO2 — CID 103036299

IUPAC1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCCC(C)(C)OC
InChIInChI=1S/C16H26ClNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)20-10-9-16(2,3)19-4/h6-8,13H,5,9-11,18H2,1-4H3
InChIKeySZDYLMJAOWRFFZ-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.81
Rot. Bonds8

About 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine

1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine (PubChem CID 103036299) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
PubChem CID103036299
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCCC(C)(C)OC
InChIInChI=1S/C16H26ClNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)20-10-9-16(2,3)19-4/h6-8,13H,5,9-11,18H2,1-4H3
InChIKeySZDYLMJAOWRFFZ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-aminobutyl)-6-chlorophenoxy]pentanenitrile
CID 112615742
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442
1-[3-chloro-2-[(4-iodophenyl)methoxy]phenyl]butan-2-amine
CID 115958466
1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 115958488
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine (CID 103036299) is 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(Cl)c1OCCC(C)(C)OC.
What is the InChIKey of 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The InChIKey is SZDYLMJAOWRFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)20-10-9-16(2,3)19-4/h6-8,13H,5,9-11,18H2,1-4H3.
What are the key properties of 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine has a molecular weight of 299.84 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine is sourced from PubChem (CID 103036299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).