1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine

C14H20ClNO2 — CID 60907979

IUPAC1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C14H20ClNO2/c1-10(16)7-11-8-12(15)4-5-14(11)18-9-13-3-2-6-17-13/h4-5,8,10,13H,2-3,6-7,9,16H2,1H3
InChIKeyVULHVYIHPFZJFO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.79
Rot. Bonds5

About 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine

1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 60907979) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID60907979
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C14H20ClNO2/c1-10(16)7-11-8-12(15)4-5-14(11)18-9-13-3-2-6-17-13/h4-5,8,10,13H,2-3,6-7,9,16H2,1H3
InChIKeyVULHVYIHPFZJFO-UHFFFAOYSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(oxolan-2-ylmethoxy)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-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
4-chloro-2-(oxan-2-ylmethoxy)aniline
CID 62306028
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
trans-(1R,3R)-3-[[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methylamino]cyclohexane-1-carboxamide
CID 124699506
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine (CID 60907979) is 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is VULHVYIHPFZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(16)7-11-8-12(15)4-5-14(11)18-9-13-3-2-6-17-13/h4-5,8,10,13H,2-3,6-7,9,16H2,1H3.
What are the key properties of 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60907979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).