4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane

C20H32ClNO — CID 144921263

IUPAC4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane
SMILESC=C(CC(CCC1CCCCO1)c1ccc(Cl)cc1)NC.CC
InChIInChI=1S/C18H26ClNO.C2H6/c1-14(20-2)13-16(15-6-9-17(19)10-7-15)8-11-18-5-3-4-12-21-18;1-2/h6-7,9-10,16,18,20H,1,3-5,8,11-13H2,2H3;1-2H3
InChIKeyBVWHVFXLDGECIX-UHFFFAOYSA-N
MW337.94 g/mol
LogP5.92
Rot. Bonds7

About 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane

4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane (PubChem CID 144921263) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane
PubChem CID144921263
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC Name4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane
SMILESC=C(CC(CCC1CCCCO1)c1ccc(Cl)cc1)NC.CC
InChIInChI=1S/C18H26ClNO.C2H6/c1-14(20-2)13-16(15-6-9-17(19)10-7-15)8-11-18-5-3-4-12-21-18;1-2/h6-7,9-10,16,18,20H,1,3-5,8,11-13H2,2H3;1-2H3
InChIKeyBVWHVFXLDGECIX-UHFFFAOYSA-N
XLogP5.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79432124
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105320716
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane?
The IUPAC name of 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane (CID 144921263) is 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane?
The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane is C=C(CC(CCC1CCCCO1)c1ccc(Cl)cc1)NC.CC.
What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane?
The InChIKey is BVWHVFXLDGECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO.C2H6/c1-14(20-2)13-16(15-6-9-17(19)10-7-15)8-11-18-5-3-4-12-21-18;1-2/h6-7,9-10,16,18,20H,1,3-5,8,11-13H2,2H3;1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane?
4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane has a molecular weight of 337.94 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methyl-6-(oxan-2-yl)hex-1-en-2-amine;ethane is sourced from PubChem (CID 144921263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).