1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine

C15H24ClNO — CID 63421655

IUPAC1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C15H24ClNO/c1-4-14(17)10-12-9-13(16)5-6-15(12)18-8-7-11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3
InChIKeyRUWFRIFQNLALLS-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.04
Rot. Bonds7

About 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine

1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine (PubChem CID 63421655) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
PubChem CID63421655
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C15H24ClNO/c1-4-14(17)10-12-9-13(16)5-6-15(12)18-8-7-11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3
InChIKeyRUWFRIFQNLALLS-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine (CID 63421655) is 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1OCCC(C)C.
What is the InChIKey of 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine?
The InChIKey is RUWFRIFQNLALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-14(17)10-12-9-13(16)5-6-15(12)18-8-7-11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine?
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine is sourced from PubChem (CID 63421655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).