1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine

C15H23ClN2O — CID 54928974

IUPAC1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCCN1CCCC1
InChIInChI=1S/C15H23ClN2O/c1-12(17)10-13-11-14(16)4-5-15(13)19-9-8-18-6-2-3-7-18/h4-5,11-12H,2-3,6-10,17H2,1H3
InChIKeyVXKLVSKMACACPE-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.70
Rot. Bonds6

About 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine

1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine (PubChem CID 54928974) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
PubChem CID54928974
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCCN1CCCC1
InChIInChI=1S/C15H23ClN2O/c1-12(17)10-13-11-14(16)4-5-15(13)19-9-8-18-6-2-3-7-18/h4-5,11-12H,2-3,6-10,17H2,1H3
InChIKeyVXKLVSKMACACPE-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-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-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
CID 171625093
1-[6-methyl-3-(2-piperidin-1-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79169001
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine (CID 54928974) is 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine?
The InChIKey is VXKLVSKMACACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(17)10-13-11-14(16)4-5-15(13)19-9-8-18-6-2-3-7-18/h4-5,11-12H,2-3,6-10,17H2,1H3.
What are the key properties of 1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 2.70, 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-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).