1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine

C13H18ClNO — CID 43202343

IUPAC1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3
InChIKeyHINRAJKSPKFGPH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43202343) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43202343
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3
InChIKeyHINRAJKSPKFGPH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
N-(oxolan-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 54931945
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43202343) is 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is HINRAJKSPKFGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43202343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).