1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

C15H22ClNO — CID 65156023

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,2-4,9-11H2,1H3
InChIKeyXBBHKCSAIYCIHI-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65156023) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID65156023
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,2-4,9-11H2,1H3
InChIKeyXBBHKCSAIYCIHI-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107993679
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (CID 65156023) is 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is XBBHKCSAIYCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h5-8,14-15,17H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65156023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).