N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine

C13H18ClNO — CID 115335540

IUPACN-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(11-3-5-12(14)6-4-11)15-13-7-8-16-10(13)2/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyRDLNKFMSXZEVLS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine

N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115335540) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
PubChem CID115335540
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(11-3-5-12(14)6-4-11)15-13-7-8-16-10(13)2/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyRDLNKFMSXZEVLS-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
CID 115335705
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
CID 115335774
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine (CID 115335540) is N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine is CC(NC1CCOC1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is RDLNKFMSXZEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(11-3-5-12(14)6-4-11)15-13-7-8-16-10(13)2/h3-6,9-10,13,15H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine?
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).