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

C15H22ClNO — CID 65164797

IUPAC1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,5,9,13-14H,3-4,6-8,10-11,17H2
InChIKeyQLHZSPYTRBTHGJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.56
Rot. Bonds6

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

1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65164797) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65164797
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,5,9,13-14H,3-4,6-8,10-11,17H2
InChIKeyQLHZSPYTRBTHGJ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
CID 105156521
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine (CID 65164797) is 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine is NC(CCCC1CCCO1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is QLHZSPYTRBTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,5,9,13-14H,3-4,6-8,10-11,17H2.
What are the key properties of 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65164797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).