[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine

C15H20ClNO2 — CID 117452536

IUPAC[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2ccc(OC3CCCOC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c16-13-8-11(15(10-17)5-6-15)3-4-14(13)19-12-2-1-7-18-9-12/h3-4,8,12H,1-2,5-7,9-10,17H2
InChIKeyJUIQDWQZGQFKDS-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.89
Rot. Bonds4

About [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine

[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine (PubChem CID 117452536) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
PubChem CID117452536
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2ccc(OC3CCCOC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c16-13-8-11(15(10-17)5-6-15)3-4-14(13)19-12-2-1-7-18-9-12/h3-4,8,12H,1-2,5-7,9-10,17H2
InChIKeyJUIQDWQZGQFKDS-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117495625
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine (CID 117452536) is [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine is NCC1(c2ccc(OC3CCCOC3)c(Cl)c2)CC1.
What is the InChIKey of [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The InChIKey is JUIQDWQZGQFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-8-11(15(10-17)5-6-15)3-4-14(13)19-12-2-1-7-18-9-12/h3-4,8,12H,1-2,5-7,9-10,17H2.
What are the key properties of [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine has a molecular weight of 281.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117452536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).