N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine

C13H18ClNO — CID 115655120

IUPACN-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO/c1-10(12-5-6-16-9-12)15-8-11-3-2-4-13(14)7-11/h2-4,7,10,12,15H,5-6,8-9H2,1H3
InChIKeyRPAUCJCEWUFAIO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655120) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655120
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO/c1-10(12-5-6-16-9-12)15-8-11-3-2-4-13(14)7-11/h2-4,7,10,12,15H,5-6,8-9H2,1H3
InChIKeyRPAUCJCEWUFAIO-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655306
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655120) is N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCc1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is RPAUCJCEWUFAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(12-5-6-16-9-12)15-8-11-3-2-4-13(14)7-11/h2-4,7,10,12,15H,5-6,8-9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).