1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

C16H24ClNO — CID 65164845

IUPAC1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-18-14(7-4-8-15-9-5-11-19-15)12-13-6-2-3-10-16(13)17/h2-3,6,10,14-15,18H,4-5,7-9,11-12H2,1H3
InChIKeyYJAUCJAIBNOMGR-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.82
Rot. Bonds7

About 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65164845) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65164845
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-18-14(7-4-8-15-9-5-11-19-15)12-13-6-2-3-10-16(13)17/h2-3,6,10,14-15,18H,4-5,7-9,11-12H2,1H3
InChIKeyYJAUCJAIBNOMGR-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (CID 65164845) is 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is CNC(CCCC1CCCO1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is YJAUCJAIBNOMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18-14(7-4-8-15-9-5-11-19-15)12-13-6-2-3-10-16(13)17/h2-3,6,10,14-15,18H,4-5,7-9,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65164845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).