[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine

C16H24N2O — CID 117405631

IUPAC[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
SMILESCN1CC(Oc2cccc(C3(CN)CCCC3)c2)C1
InChIInChI=1S/C16H24N2O/c1-18-10-15(11-18)19-14-6-4-5-13(9-14)16(12-17)7-2-3-8-16/h4-6,9,15H,2-3,7-8,10-12,17H2,1H3
InChIKeySDAUWJUTSXHAGQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds4

About [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine

[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine (PubChem CID 117405631) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
PubChem CID117405631
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
SMILESCN1CC(Oc2cccc(C3(CN)CCCC3)c2)C1
InChIInChI=1S/C16H24N2O/c1-18-10-15(11-18)19-14-6-4-5-13(9-14)16(12-17)7-2-3-8-16/h4-6,9,15H,2-3,7-8,10-12,17H2,1H3
InChIKeySDAUWJUTSXHAGQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817
4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
CID 116996678
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
CID 116996675
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine (CID 117405631) is [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine is CN1CC(Oc2cccc(C3(CN)CCCC3)c2)C1.
What is the InChIKey of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine?
The InChIKey is SDAUWJUTSXHAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-10-15(11-18)19-14-6-4-5-13(9-14)16(12-17)7-2-3-8-16/h4-6,9,15H,2-3,7-8,10-12,17H2,1H3.
What are the key properties of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine?
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117405631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).