1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine

C14H23ClN2O — CID 54929442

IUPAC1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCCN(C)C
InChIInChI=1S/C14H23ClN2O/c1-4-13(16)10-11-9-12(15)5-6-14(11)18-8-7-17(2)3/h5-6,9,13H,4,7-8,10,16H2,1-3H3
InChIKeyYWEWLULVDSTZOL-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.56
Rot. Bonds7

About 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine

1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine (PubChem CID 54929442) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
PubChem CID54929442
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCCN(C)C
InChIInChI=1S/C14H23ClN2O/c1-4-13(16)10-11-9-12(15)5-6-14(11)18-8-7-17(2)3/h5-6,9,13H,4,7-8,10,16H2,1-3H3
InChIKeyYWEWLULVDSTZOL-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine (CID 54929442) is 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1OCCN(C)C.
What is the InChIKey of 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The InChIKey is YWEWLULVDSTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-13(16)10-11-9-12(15)5-6-14(11)18-8-7-17(2)3/h5-6,9,13H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine has a molecular weight of 270.80 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 54929442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).