2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine

C13H18ClNO — CID 62622554

IUPAC2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
SMILESCC(N)(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-13(15,9-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3
InChIKeyRBXDZBAUEQTSLK-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine

2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine (PubChem CID 62622554) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
PubChem CID62622554
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
SMILESCC(N)(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-13(15,9-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3
InChIKeyRBXDZBAUEQTSLK-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
CID 79450596
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine (CID 62622554) is 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine is CC(N)(CC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine?
The InChIKey is RBXDZBAUEQTSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(15,9-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine?
2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62622554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).