1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine

C15H22ClNO2 — CID 105156521

IUPAC1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c16-12-4-1-7-15(10-12)19-11-13(17)5-2-6-14-8-3-9-18-14/h1,4,7,10,13-14H,2-3,5-6,8-9,11,17H2
InChIKeyMTIHLPCJUPXFDK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.40
Rot. Bonds7

About 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine

1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 105156521) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
PubChem CID105156521
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c16-12-4-1-7-15(10-12)19-11-13(17)5-2-6-14-8-3-9-18-14/h1,4,7,10,13-14H,2-3,5-6,8-9,11,17H2
InChIKeyMTIHLPCJUPXFDK-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine (CID 105156521) is 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine is NC(CCCC1CCCO1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is MTIHLPCJUPXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-12-4-1-7-15(10-12)19-11-13(17)5-2-6-14-8-3-9-18-14/h1,4,7,10,13-14H,2-3,5-6,8-9,11,17H2.
What are the key properties of 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine?
1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 105156521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).