N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine

C15H22ClNO2 — CID 63556687

IUPACN-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-9-15(19-14-6-7-18-10-14)12-4-3-5-13(16)8-12/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyRYELKAQSOWZVKM-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine

N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine (PubChem CID 63556687) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
PubChem CID63556687
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-9-15(19-14-6-7-18-10-14)12-4-3-5-13(16)8-12/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyRYELKAQSOWZVKM-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559032
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63558015
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine (CID 63556687) is N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine is CC(C)NCC(OC1CCOC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The InChIKey is RYELKAQSOWZVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)17-9-15(19-14-6-7-18-10-14)12-4-3-5-13(16)8-12/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine?
N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 63556687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).