1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine

C16H24ClNO2 — CID 103136586

IUPAC1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCC1CCC(C)O1
InChIInChI=1S/C16H24ClNO2/c1-3-14(18)9-12-8-13(17)5-7-16(12)19-10-15-6-4-11(2)20-15/h5,7-8,11,14-15H,3-4,6,9-10,18H2,1-2H3
InChIKeyKOODZKJYHDRILD-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.57
Rot. Bonds6

About 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine

1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 103136586) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID103136586
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCC1CCC(C)O1
InChIInChI=1S/C16H24ClNO2/c1-3-14(18)9-12-8-13(17)5-7-16(12)19-10-15-6-4-11(2)20-15/h5,7-8,11,14-15H,3-4,6,9-10,18H2,1-2H3
InChIKeyKOODZKJYHDRILD-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136601
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136573
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (CID 103136586) is 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1OCC1CCC(C)O1.
What is the InChIKey of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is KOODZKJYHDRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-14(18)9-12-8-13(17)5-7-16(12)19-10-15-6-4-11(2)20-15/h5,7-8,11,14-15H,3-4,6,9-10,18H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 103136586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).