3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine

C13H19ClN2O — CID 115005357

IUPAC3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
SMILESCN1CC(Oc2ccc(CCCN)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-16-8-11(9-16)17-13-5-4-10(3-2-6-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3
InChIKeyVNYMIULJFBJKHN-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.92
Rot. Bonds5

About 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine

3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine (PubChem CID 115005357) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
PubChem CID115005357
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
SMILESCN1CC(Oc2ccc(CCCN)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-16-8-11(9-16)17-13-5-4-10(3-2-6-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3
InChIKeyVNYMIULJFBJKHN-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propanal
CID 117387535
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
4-[3-chloro-4-(thiolan-3-yloxy)phenyl]butan-1-amine
CID 117460472
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817
O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117384188
1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
CID 118058024
3-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]propan-1-amine
CID 117459739
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117460126
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine?
The IUPAC name of 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine (CID 115005357) is 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine is CN1CC(Oc2ccc(CCCN)cc2Cl)C1.
What is the InChIKey of 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine?
The InChIKey is VNYMIULJFBJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-8-11(9-16)17-13-5-4-10(3-2-6-15)7-12(13)14/h4-5,7,11H,2-3,6,8-9,15H2,1H3.
What are the key properties of 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine?
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine has a molecular weight of 254.76 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 115005357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).